3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide

C24H21F4N7O3 — CID 167187558

About 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide

3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide (PubChem CID 167187558) has the molecular formula C24H21F4N7O3 and a molecular weight of 531.47 g/mol. Its IUPAC name is 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide
• PubChem CID: 167187558
• Molecular Formula: C24H21F4N7O3
• Molecular Weight: 531.47 g/mol
• Exact Mass: 531.16
• IUPAC Name: 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide
• SMILES: Cc1c(-c2cc(OC3CN(C(=O)N4N=CCC4c4cc(F)cc(F)c4F)C3)c(F)cn2)nn(C)c1C(N)=O
• InChI: InChI=1S/C24H21F4N7O3/c1-11-21(32-33(2)22(11)23(29)36)17-7-19(16(27)8-30-17)38-13-9-34(10-13)24(37)35-18(3-4-31-35)14-5-12(25)6-15(26)20(14)28/h4-8,13,18H,3,9-10H2,1-2H3,(H2,29,36)
• InChIKey: GSEREVMPPHQKIU-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 118.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.47
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide?

The IUPAC name of 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide (CID 167187558) is 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide.

What is the SMILES notation for 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide?

The canonical SMILES for 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide is Cc1c(-c2cc(OC3CN(C(=O)N4N=CCC4c4cc(F)cc(F)c4F)C3)c(F)cn2)nn(C)c1C(N)=O.

What is the InChIKey of 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide?

The InChIKey is GSEREVMPPHQKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N7O3/c1-11-21(32-33(2)22(11)23(29)36)17-7-19(16(27)8-30-17)38-13-9-34(10-13)24(37)35-18(3-4-31-35)14-5-12(25)6-15(26)20(14)28/h4-8,13,18H,3,9-10H2,1-2H3,(H2,29,36).

What are the key properties of 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide?

3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide has a molecular weight of 531.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-4-[1-[3-(2,3,5-trifluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-2-pyridinyl]-1,4-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 167187558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).