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6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one

C18H15ClN4OS — CID 134490069

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(-c2cnc3c(c2)n(Cc2cccnc2)c(=O)n3C)sc1Cl
InChIInChI=1S/C18H15ClN4OS/c1-11-6-15(25-16(11)19)13-7-14-17(21-9-13)22(2)18(24)23(14)10-12-4-3-5-20-8-12/h3-9H,10H2,1-2H3
InChIKeyCXAZLNRLKAIXTF-UHFFFAOYSA-N
MW370.87 g/mol
LogP3.87
Rot. Bonds3

About 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one

6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 134490069) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID134490069
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(-c2cnc3c(c2)n(Cc2cccnc2)c(=O)n3C)sc1Cl
InChIInChI=1S/C18H15ClN4OS/c1-11-6-15(25-16(11)19)13-7-14-17(21-9-13)22(2)18(24)23(14)10-12-4-3-5-20-8-12/h3-9H,10H2,1-2H3
InChIKeyCXAZLNRLKAIXTF-UHFFFAOYSA-N
XLogP3.87
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 134490069) is 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one is Cc1cc(-c2cnc3c(c2)n(Cc2cccnc2)c(=O)n3C)sc1Cl.
What is the InChIKey of 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is CXAZLNRLKAIXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-11-6-15(25-16(11)19)13-7-14-17(21-9-13)22(2)18(24)23(14)10-12-4-3-5-20-8-12/h3-9H,10H2,1-2H3.
What are the key properties of 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one?
6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 370.87 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-4-methylthiophen-2-yl)-3-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134490069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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