N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide

C24H32F2N8O3 — CID 171904150

About N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide

N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide (PubChem CID 171904150) has the molecular formula C24H32F2N8O3 and a molecular weight of 518.57 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide
• PubChem CID: 171904150
• Molecular Formula: C24H32F2N8O3
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.26
• IUPAC Name: N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide
• SMILES: C[C@@H](O)C(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(C5CCNN5)n4)c(C(F)F)n3)C2)CC1
• InChI: InChI=1S/C24H32F2N8O3/c1-14(35)24(37)32-9-6-15(7-10-32)33-11-16(12-33)34-13-20(21(31-34)22(25)26)29-23(36)19-4-2-3-17(28-19)18-5-8-27-30-18/h2-4,13-16,18,22,27,30,35H,5-12H2,1H3,(H,29,36)/t14-,18?/m1/s1
• InChIKey: JGVOTMKSGYCSDV-IKJXHCRLSA-N
• XLogP: 1.24
• TPSA: 127.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide (CID 171904150) is N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide is C[C@@H](O)C(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(C5CCNN5)n4)c(C(F)F)n3)C2)CC1.

What is the InChIKey of N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide?

The InChIKey is JGVOTMKSGYCSDV-IKJXHCRLSA-N. The full InChI is InChI=1S/C24H32F2N8O3/c1-14(35)24(37)32-9-6-15(7-10-32)33-11-16(12-33)34-13-20(21(31-34)22(25)26)29-23(36)19-4-2-3-17(28-19)18-5-8-27-30-18/h2-4,13-16,18,22,27,30,35H,5-12H2,1H3,(H,29,36)/t14-,18?/m1/s1.

What are the key properties of N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide?

N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide has a molecular weight of 518.57 g/mol, XLogP of 1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-6-pyrazolidin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 171904150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).