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OTS186935

CAT: 0926-TID40018-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-TID40018-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2093400-18-9
Smiles
COC1=CC (=C (C=C1C2=CN3C=CC (=CC3=N2) N4CCC (C4) NCC5=CC=NC=C5) Cl) OC
Molecular Formula
C25H26ClN5O2
Molecular Weight
464 g/mol
Controlled
No

Chemical Information

(S)-1-(2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl)-N-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CAS Number2093400-18-9
PubChem CID135281262
IUPAC Name(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-4-ylmethyl)pyrrolidin-3-amine
Molecular FormulaC25H26ClN5O2
Molecular Weight464.0
XLogP4.3
Topological Polar Surface Area63.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity624
SMILES
COC1=CC(=C(C=C1C2=CN3C=CC(=CC3=N2)N4CC[C@@H](C4)NCC5=CC=NC=C5)Cl)OC
InChI
InChI=1S/C25H26ClN5O2/c1-32-23-13-24(33-2)21(26)12-20(23)22-16-31-10-6-19(11-25(31)29-22)30-9-5-18(15-30)28-14-17-3-7-27-8-4-17/h3-4,6-8,10-13,16,18,28H,5,9,14-15H2,1-2H3/t18-/m0/s1
InChIKey
YDTCRGKEOJGNHD-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl)-N-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CAS: 2093400-18-9
CID: 135281262
Formula: C25H26ClN5O2
MW: 464.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.0
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass463.1775028
Monoisotopic Mass463.1775028
Topological Polar Surface Area63.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-122181-01OTS186935
T63654-01OTS186935 hydrochloride
A18632-5OTS186935 5mg
GTR19205223-01OTS186935 trihydrochloride
HY-122181B-01OTS186935 (hydrochloride)
A18632-100OTS186935 100mg
GTR19219770-01OTS186935 FA
HY-122181AOTS186935 (trihydrochloride)
A18632-50OTS186935 50mg
A18632-25OTS186935 25mg

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