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

C22H18ClF2N5OS — CID 168885596

IUPAC5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnc(F)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C22H18ClF2N5OS/c23-18-11-27-22(32-18)21(31)28-12-4-3-5-13(8-12)30-17-9-19(25)26-10-16(17)29-20(30)14-6-1-2-7-15(14)24/h1-2,6-7,9-13H,3-5,8H2,(H,28,31)
InChIKeyXXNFOYXAAUNTOZ-UHFFFAOYSA-N
MW473.94 g/mol
LogP5.40
Rot. Bonds4

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

5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885596) has the molecular formula C22H18ClF2N5OS and a molecular weight of 473.94 g/mol. Its IUPAC name is 5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885596
Molecular FormulaC22H18ClF2N5OS
Molecular Weight473.94 g/mol
Exact Mass473.09
IUPAC Name5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnc(F)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C22H18ClF2N5OS/c23-18-11-27-22(32-18)21(31)28-12-4-3-5-13(8-12)30-17-9-19(25)26-10-16(17)29-20(30)14-6-1-2-7-15(14)24/h1-2,6-7,9-13H,3-5,8H2,(H,28,31)
InChIKeyXXNFOYXAAUNTOZ-UHFFFAOYSA-N
XLogP5.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.94
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885596) is 5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is O=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnc(F)cc32)C1)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is XXNFOYXAAUNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N5OS/c23-18-11-27-22(32-18)21(31)28-12-4-3-5-13(8-12)30-17-9-19(25)26-10-16(17)29-20(30)14-6-1-2-7-15(14)24/h1-2,6-7,9-13H,3-5,8H2,(H,28,31).
What are the key properties of 5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 473.94 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[6-fluoro-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).