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

C23H19F2N9O2S — CID 168885414

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

5-(difluoromethyl)-N-[5-[2-pyridin-2-yl-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 168885414) has the molecular formula C23H19F2N9O2S and a molecular weight of 523.53 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[5-[2-pyridin-2-yl-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(difluoromethyl)-N-[5-[2-pyridin-2-yl-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide
• PubChem CID: 168885414
• Molecular Formula: C23H19F2N9O2S
• Molecular Weight: 523.53 g/mol
• Exact Mass: 523.14
• IUPAC Name: 5-(difluoromethyl)-N-[5-[2-pyridin-2-yl-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide
• SMILES: O=C(NC1COCC(n2c(-c3ccccn3)nc3cnc(-n4ccnn4)cc32)C1)c1ncc(C(F)F)s1
• InChI: InChI=1S/C23H19F2N9O2S/c24-20(25)18-10-28-23(37-18)22(35)30-13-7-14(12-36-11-13)34-17-8-19(33-6-5-29-32-33)27-9-16(17)31-21(34)15-3-1-2-4-26-15/h1-6,8-10,13-14,20H,7,11-12H2,(H,30,35)
• InChIKey: ALLFNXYVTRYIQQ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 125.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.53
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 5-(difluoromethyl)-N-[5-[2-pyridin-2-yl-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide (CID 168885414) is 5-(difluoromethyl)-N-[5-[2-pyridin-2-yl-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide.

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

The canonical SMILES for 5-(difluoromethyl)-N-[5-[2-pyridin-2-yl-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide is O=C(NC1COCC(n2c(-c3ccccn3)nc3cnc(-n4ccnn4)cc32)C1)c1ncc(C(F)F)s1.

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

The InChIKey is ALLFNXYVTRYIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N9O2S/c24-20(25)18-10-28-23(37-18)22(35)30-13-7-14(12-36-11-13)34-17-8-19(33-6-5-29-32-33)27-9-16(17)31-21(34)15-3-1-2-4-26-15/h1-6,8-10,13-14,20H,7,11-12H2,(H,30,35).

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

5-(difluoromethyl)-N-[5-[2-pyridin-2-yl-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 523.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(difluoromethyl)-N-[5-[2-pyridin-2-yl-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).