N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide

C25H21F3N10O2S — CID 168886118

About N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide

N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 168886118) has the molecular formula C25H21F3N10O2S and a molecular weight of 582.57 g/mol. Its IUPAC name is N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide
• PubChem CID: 168886118
• Molecular Formula: C25H21F3N10O2S
• Molecular Weight: 582.57 g/mol
• Exact Mass: 582.15
• IUPAC Name: N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide
• SMILES: CC(=O)N1CC(NC(=O)c2ncc(C(F)F)s2)CC(n2c(-c3ncccc3F)nc3cnc(-n4ccnn4)cc32)C1
• InChI: InChI=1S/C25H21F3N10O2S/c1-13(39)36-11-14(33-24(40)25-31-10-19(41-25)22(27)28)7-15(12-36)38-18-8-20(37-6-5-32-35-37)30-9-17(18)34-23(38)21-16(26)3-2-4-29-21/h2-6,8-10,14-15,22H,7,11-12H2,1H3,(H,33,40)
• InChIKey: ROCIWQYNCVHWGW-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 136.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.57
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide (CID 168886118) is N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide is CC(=O)N1CC(NC(=O)c2ncc(C(F)F)s2)CC(n2c(-c3ncccc3F)nc3cnc(-n4ccnn4)cc32)C1.

What is the InChIKey of N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide?

The InChIKey is ROCIWQYNCVHWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N10O2S/c1-13(39)36-11-14(33-24(40)25-31-10-19(41-25)22(27)28)7-15(12-36)38-18-8-20(37-6-5-32-35-37)30-9-17(18)34-23(38)21-16(26)3-2-4-29-21/h2-6,8-10,14-15,22H,7,11-12H2,1H3,(H,33,40).

What are the key properties of N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide?

N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 582.57 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-acetyl-5-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168886118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).