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

C26H23ClFN7OS — CID 168886197

IUPAC5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCc1cn[nH]c1-c1cc2c(cn1)nc(-c1ccccc1F)n2C1CCC[C@H](NC(=O)c2ncc(Cl)s2)C1
InChIInChI=1S/C26H23ClFN7OS/c1-14-11-31-34-23(14)19-10-21-20(12-29-19)33-24(17-7-2-3-8-18(17)28)35(21)16-6-4-5-15(9-16)32-25(36)26-30-13-22(27)37-26/h2-3,7-8,10-13,15-16H,4-6,9H2,1H3,(H,31,34)(H,32,36)/t15-,16?/m0/s1
InChIKeyIBICFBJOENUECW-VYRBHSGPSA-N
MW536.04 g/mol
LogP5.96
Rot. Bonds5

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

5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168886197) has the molecular formula C26H23ClFN7OS and a molecular weight of 536.04 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168886197
Molecular FormulaC26H23ClFN7OS
Molecular Weight536.04 g/mol
Exact Mass535.14
IUPAC Name5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCc1cn[nH]c1-c1cc2c(cn1)nc(-c1ccccc1F)n2C1CCC[C@H](NC(=O)c2ncc(Cl)s2)C1
InChIInChI=1S/C26H23ClFN7OS/c1-14-11-31-34-23(14)19-10-21-20(12-29-19)33-24(17-7-2-3-8-18(17)28)35(21)16-6-4-5-15(9-16)32-25(36)26-30-13-22(27)37-26/h2-3,7-8,10-13,15-16H,4-6,9H2,1H3,(H,31,34)(H,32,36)/t15-,16?/m0/s1
InChIKeyIBICFBJOENUECW-VYRBHSGPSA-N
XLogP5.96
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.04
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168886197) is 5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is Cc1cn[nH]c1-c1cc2c(cn1)nc(-c1ccccc1F)n2C1CCC[C@H](NC(=O)c2ncc(Cl)s2)C1.
What is the InChIKey of 5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is IBICFBJOENUECW-VYRBHSGPSA-N. The full InChI is InChI=1S/C26H23ClFN7OS/c1-14-11-31-34-23(14)19-10-21-20(12-29-19)33-24(17-7-2-3-8-18(17)28)35(21)16-6-4-5-15(9-16)32-25(36)26-30-13-22(27)37-26/h2-3,7-8,10-13,15-16H,4-6,9H2,1H3,(H,31,34)(H,32,36)/t15-,16?/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 536.04 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-3-[2-(2-fluorophenyl)-6-(4-methyl-1H-pyrazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168886197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).