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

C24H26F4N8O2 — CID 146437628

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

N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 146437628) has the molecular formula C24H26F4N8O2 and a molecular weight of 534.52 g/mol. Its IUPAC name is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(difluoromethyl)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-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 146437628
• Molecular Formula: C24H26F4N8O2
• Molecular Weight: 534.52 g/mol
• Exact Mass: 534.21
• IUPAC Name: N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
• SMILES: CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(F)F)c5)n4)c(C(F)F)n3)C2)CC1
• InChI: InChI=1S/C24H26F4N8O2/c1-14(37)33-7-5-16(6-8-33)34-11-17(12-34)35-13-20(21(32-35)22(25)26)31-23(38)19-4-2-3-18(30-19)15-9-29-36(10-15)24(27)28/h2-4,9-10,13,16-17,22,24H,5-8,11-12H2,1H3,(H,31,38)
• InChIKey: WCMSMZPCUZMYRP-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 101.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.52
LogP ≤ 5	3.59
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-(difluoromethyl)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-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 146437628) is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(difluoromethyl)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-(difluoromethyl)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-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide is CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(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-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide?

The InChIKey is WCMSMZPCUZMYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N8O2/c1-14(37)33-7-5-16(6-8-33)34-11-17(12-34)35-13-20(21(32-35)22(25)26)31-23(38)19-4-2-3-18(30-19)15-9-29-36(10-15)24(27)28/h2-4,9-10,13,16-17,22,24H,5-8,11-12H2,1H3,(H,31,38).

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

N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 534.52 g/mol, XLogP of 3.59, 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-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146437628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).