5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide

C23H18ClFN6OS — CID 155574580

IUPAC5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide
SMILESN#Cc1cc2nc(-c3ncccc3F)n(C3CCCC(NC(=O)c4ccc(Cl)s4)C3)c2cn1
InChIInChI=1S/C23H18ClFN6OS/c24-20-7-6-19(33-20)23(32)29-13-3-1-4-15(9-13)31-18-12-28-14(11-26)10-17(18)30-22(31)21-16(25)5-2-8-27-21/h2,5-8,10,12-13,15H,1,3-4,9H2,(H,29,32)
InChIKeyWFQAXHDPXDEAOR-UHFFFAOYSA-N
MW480.96 g/mol
LogP5.13
Rot. Bonds4

About 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide

5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 155574580) has the molecular formula C23H18ClFN6OS and a molecular weight of 480.96 g/mol. Its IUPAC name is 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide
PubChem CID155574580
Molecular FormulaC23H18ClFN6OS
Molecular Weight480.96 g/mol
Exact Mass480.09
IUPAC Name5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide
SMILESN#Cc1cc2nc(-c3ncccc3F)n(C3CCCC(NC(=O)c4ccc(Cl)s4)C3)c2cn1
InChIInChI=1S/C23H18ClFN6OS/c24-20-7-6-19(33-20)23(32)29-13-3-1-4-15(9-13)31-18-12-28-14(11-26)10-17(18)30-22(31)21-16(25)5-2-8-27-21/h2,5-8,10,12-13,15H,1,3-4,9H2,(H,29,32)
InChIKeyWFQAXHDPXDEAOR-UHFFFAOYSA-N
XLogP5.13
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.96
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide (CID 155574580) is 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide is N#Cc1cc2nc(-c3ncccc3F)n(C3CCCC(NC(=O)c4ccc(Cl)s4)C3)c2cn1.
What is the InChIKey of 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is WFQAXHDPXDEAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN6OS/c24-20-7-6-19(33-20)23(32)29-13-3-1-4-15(9-13)31-18-12-28-14(11-26)10-17(18)30-22(31)21-16(25)5-2-8-27-21/h2,5-8,10,12-13,15H,1,3-4,9H2,(H,29,32).
What are the key properties of 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide?
5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[6-cyano-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 155574580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).