N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

C25H27F5N8O2 — CID 146424769

About N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide

N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 146424769) has the molecular formula C25H27F5N8O2 and a molecular weight of 566.54 g/mol. Its IUPAC name is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 146424769
• Molecular Formula: C25H27F5N8O2
• Molecular Weight: 566.54 g/mol
• Exact Mass: 566.22
• IUPAC Name: N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
• SMILES: CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(CC(F)(F)F)c5)n4)c(C(F)F)n3)C2)CC1
• InChI: InChI=1S/C25H27F5N8O2/c1-15(39)35-7-5-17(6-8-35)36-11-18(12-36)38-13-21(22(34-38)23(26)27)33-24(40)20-4-2-3-19(32-20)16-9-31-37(10-16)14-25(28,29)30/h2-4,9-10,13,17-18,23H,5-8,11-12,14H2,1H3,(H,33,40)
• InChIKey: AJUVYLQRNPHXOR-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 101.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.54
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 146424769) is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(CC(F)(F)F)c5)n4)c(C(F)F)n3)C2)CC1.

What is the InChIKey of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The InChIKey is AJUVYLQRNPHXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F5N8O2/c1-15(39)35-7-5-17(6-8-35)36-11-18(12-36)38-13-21(22(34-38)23(26)27)33-24(40)20-4-2-3-19(32-20)16-9-31-37(10-16)14-25(28,29)30/h2-4,9-10,13,17-18,23H,5-8,11-12,14H2,1H3,(H,33,40).

What are the key properties of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?

N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 566.54 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146424769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).