3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile

C14H11ClN4S — CID 82143568

IUPAC3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
SMILESN#CCCn1c(Cc2cccs2)nc2cc(Cl)cnc21
InChIInChI=1S/C14H11ClN4S/c15-10-7-12-14(17-9-10)19(5-2-4-16)13(18-12)8-11-3-1-6-20-11/h1,3,6-7,9H,2,5,8H2
InChIKeySLYVLIMKLWSRGH-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.65
Rot. Bonds4

About 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile

3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile (PubChem CID 82143568) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
PubChem CID82143568
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
SMILESN#CCCn1c(Cc2cccs2)nc2cc(Cl)cnc21
InChIInChI=1S/C14H11ClN4S/c15-10-7-12-14(17-9-10)19(5-2-4-16)13(18-12)8-11-3-1-6-20-11/h1,3,6-7,9H,2,5,8H2
InChIKeySLYVLIMKLWSRGH-UHFFFAOYSA-N
XLogP3.65
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758775
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746861
3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 94745997
3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile
CID 82143553
3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide
CID 94757870
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 39157935
2-(2-benzyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanol
CID 82150820
4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 82151993
3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143536
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361
4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile
CID 82152005

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
The IUPAC name of 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile (CID 82143568) is 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile.
What is the SMILES notation for 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
The canonical SMILES for 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile is N#CCCn1c(Cc2cccs2)nc2cc(Cl)cnc21.
What is the InChIKey of 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
The InChIKey is SLYVLIMKLWSRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-10-7-12-14(17-9-10)19(5-2-4-16)13(18-12)8-11-3-1-6-20-11/h1,3,6-7,9H,2,5,8H2.
What are the key properties of 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile has a molecular weight of 302.79 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile is sourced from PubChem (CID 82143568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).