5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

C24H23F2N9O2S — CID 168885791

About 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885791) has the molecular formula C24H23F2N9O2S and a molecular weight of 539.57 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 168885791
• Molecular Formula: C24H23F2N9O2S
• Molecular Weight: 539.57 g/mol
• Exact Mass: 539.17
• IUPAC Name: 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
• SMILES: Cc1noc(C)c1-c1nc2cnc(-n3nccn3)cc2n1[C@@H]1CCCC(NC(=O)c2ncc(C(F)F)s2)C1
• InChI: InChI=1S/C24H23F2N9O2S/c1-12-20(13(2)37-33-12)22-32-16-10-27-19(35-29-6-7-30-35)9-17(16)34(22)15-5-3-4-14(8-15)31-23(36)24-28-11-18(38-24)21(25)26/h6-7,9-11,14-15,21H,3-5,8H2,1-2H3,(H,31,36)/t14?,15-/m1/s1
• InChIKey: IJDPQDUFBYRIMA-YSSOQSIOSA-N
• XLogP: 4.59
• TPSA: 129.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.57
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885791) is 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is Cc1noc(C)c1-c1nc2cnc(-n3nccn3)cc2n1[C@@H]1CCCC(NC(=O)c2ncc(C(F)F)s2)C1.

What is the InChIKey of 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

The InChIKey is IJDPQDUFBYRIMA-YSSOQSIOSA-N. The full InChI is InChI=1S/C24H23F2N9O2S/c1-12-20(13(2)37-33-12)22-32-16-10-27-19(35-29-6-7-30-35)9-17(16)34(22)15-5-3-4-14(8-15)31-23(36)24-28-11-18(38-24)21(25)26/h6-7,9-11,14-15,21H,3-5,8H2,1-2H3,(H,31,36)/t14?,15-/m1/s1.

What are the key properties of 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 539.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(difluoromethyl)-N-[(3R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).