IMP-1088

CAT: 0127-BUP11492-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11492-02Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2059148-82-0

Purity

=98%

Smiles

CN(C)Cc1nn(C)c2ccc(cc12)-c1ccc(F)c(F)c1OCCc1c(C)nn(C)c1C

Chemical Information

Imp-1088

CAS Number	2059148-82-0
PubChem CID	132274735
IUPAC Name	1-[5-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methylindazol-3-yl]-N,N-dimethylmethanamine
Molecular Formula	C25H29F2N5O
Molecular Weight	453.5
XLogP	4.3
Topological Polar Surface Area	48.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	642

SMILES

CC1=C(C(=NN1C)C)CCOC2=C(C=CC(=C2F)F)C3=CC4=C(C=C3)N(N=C4CN(C)C)C

InChI

InChI=1S/C25H29F2N5O/c1-15-18(16(2)31(5)28-15)11-12-33-25-19(8-9-21(26)24(25)27)17-7-10-23-20(13-17)22(14-30(3)4)29-32(23)6/h7-10,13H,11-12,14H2,1-6H3

InChIKey

SOXNKJCQBRQUMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2059148-82-0

CID: 132274735

Formula: C25H29F2N5O

MW: 453.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	453.5
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	453.23401689
Monoisotopic Mass	453.23401689
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	642
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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