RO-275

CAT: 0127-BUP21185-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21185-02Size:10 mg

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

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CAS Number

2648837-04-9

Synonyms

RO275

Purity

=98%

Smiles

O=C(N)C1=NC(C#CC=2C=CN=C(Cl)C2C)=C(N1C=3C=NC=CC3)C

Chemical Information

4-[2-(2-Chloro-3-methyl-4-pyridinyl)ethynyl]-5-methyl-1-pyridin-3-ylimidazole-2-carboxamide

CAS Number	2648837-04-9
PubChem CID	156441547
IUPAC Name	4-[2-(2-chloro-3-methyl-4-pyridinyl)ethynyl]-5-methyl-1-pyridin-3-ylimidazole-2-carboxamide
Molecular Formula	C18H14ClN5O
Molecular Weight	351.8
XLogP	2.5
Topological Polar Surface Area	86.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	558

SMILES

CC1=C(C=CN=C1Cl)C#CC2=C(N(C(=N2)C(=O)N)C3=CN=CC=C3)C

InChI

InChI=1S/C18H14ClN5O/c1-11-13(7-9-22-16(11)19)5-6-15-12(2)24(18(23-15)17(20)25)14-4-3-8-21-10-14/h3-4,7-10H,1-2H3,(H2,20,25)

InChIKey

STQKUEFQEVDNLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2648837-04-9

CID: 156441547

Formula: C18H14ClN5O

MW: 351.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.8
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	351.0886878
Monoisotopic Mass	351.0886878
Topological Polar Surface Area	86.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	558
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