5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

C25H26ClFN6OS — CID 168885360

IUPAC5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)Cc1nc2cnc(-c3cccc(F)n3)cc2n1C1CCCC(NC(=O)c2ncc(Cl)s2)C1
InChIInChI=1S/C25H26ClFN6OS/c1-14(2)9-23-32-19-12-28-18(17-7-4-8-22(27)31-17)11-20(19)33(23)16-6-3-5-15(10-16)30-24(34)25-29-13-21(26)35-25/h4,7-8,11-16H,3,5-6,9-10H2,1-2H3,(H,30,34)
InChIKeyWSCJPXBHFQIBHJ-UHFFFAOYSA-N
MW513.04 g/mol
LogP5.85
Rot. Bonds6

About 5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885360) has the molecular formula C25H26ClFN6OS and a molecular weight of 513.04 g/mol. Its IUPAC name is 5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885360
Molecular FormulaC25H26ClFN6OS
Molecular Weight513.04 g/mol
Exact Mass512.16
IUPAC Name5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)Cc1nc2cnc(-c3cccc(F)n3)cc2n1C1CCCC(NC(=O)c2ncc(Cl)s2)C1
InChIInChI=1S/C25H26ClFN6OS/c1-14(2)9-23-32-19-12-28-18(17-7-4-8-22(27)31-17)11-20(19)33(23)16-6-3-5-15(10-16)30-24(34)25-29-13-21(26)35-25/h4,7-8,11-16H,3,5-6,9-10H2,1-2H3,(H,30,34)
InChIKeyWSCJPXBHFQIBHJ-UHFFFAOYSA-N
XLogP5.85
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.04
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885360) is 5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is CC(C)Cc1nc2cnc(-c3cccc(F)n3)cc2n1C1CCCC(NC(=O)c2ncc(Cl)s2)C1.
What is the InChIKey of 5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is WSCJPXBHFQIBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN6OS/c1-14(2)9-23-32-19-12-28-18(17-7-4-8-22(27)31-17)11-20(19)33(23)16-6-3-5-15(10-16)30-24(34)25-29-13-21(26)35-25/h4,7-8,11-16H,3,5-6,9-10H2,1-2H3,(H,30,34).
What are the key properties of 5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[3-[6-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 513.04 g/mol, XLogP of 5.85, 6 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-(6-fluoro-2-pyridinyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).