5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide

C23H19BrN6OS — CID 168885777

IUPAC5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide
SMILESN#Cc1cc2nc(-c3ccccn3)n(C3CCCC(NC(=O)c4ccc(Br)s4)C3)c2cn1
InChIInChI=1S/C23H19BrN6OS/c24-21-8-7-20(32-21)23(31)28-14-4-3-5-16(10-14)30-19-13-27-15(12-25)11-18(19)29-22(30)17-6-1-2-9-26-17/h1-2,6-9,11,13-14,16H,3-5,10H2,(H,28,31)
InChIKeyZSFQKCXBNQXLKT-UHFFFAOYSA-N
MW507.42 g/mol
LogP5.10
Rot. Bonds4

About 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide

5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 168885777) has the molecular formula C23H19BrN6OS and a molecular weight of 507.42 g/mol. Its IUPAC name is 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide
PubChem CID168885777
Molecular FormulaC23H19BrN6OS
Molecular Weight507.42 g/mol
Exact Mass506.05
IUPAC Name5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide
SMILESN#Cc1cc2nc(-c3ccccn3)n(C3CCCC(NC(=O)c4ccc(Br)s4)C3)c2cn1
InChIInChI=1S/C23H19BrN6OS/c24-21-8-7-20(32-21)23(31)28-14-4-3-5-16(10-14)30-19-13-27-15(12-25)11-18(19)29-22(30)17-6-1-2-9-26-17/h1-2,6-9,11,13-14,16H,3-5,10H2,(H,28,31)
InChIKeyZSFQKCXBNQXLKT-UHFFFAOYSA-N
XLogP5.10
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide (CID 168885777) is 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide is N#Cc1cc2nc(-c3ccccn3)n(C3CCCC(NC(=O)c4ccc(Br)s4)C3)c2cn1.
What is the InChIKey of 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is ZSFQKCXBNQXLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN6OS/c24-21-8-7-20(32-21)23(31)28-14-4-3-5-16(10-14)30-19-13-27-15(12-25)11-18(19)29-22(30)17-6-1-2-9-26-17/h1-2,6-9,11,13-14,16H,3-5,10H2,(H,28,31).
What are the key properties of 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide?
5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 507.42 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 168885777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).