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

C24H22F3N7O3 — CID 174200499

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

5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 174200499) has the molecular formula C24H22F3N7O3 and a molecular weight of 513.48 g/mol. Its IUPAC name is 5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide
• PubChem CID: 174200499
• Molecular Formula: C24H22F3N7O3
• Molecular Weight: 513.48 g/mol
• Exact Mass: 513.17
• IUPAC Name: 5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide
• SMILES: Cc1c(C(N)=O)nn(C)c1-c1cc(OC2CN(C(=O)N3N=CCC3c3cc(F)cc(F)c3)C2)c(F)cn1
• InChI: InChI=1S/C24H22F3N7O3/c1-12-21(23(28)35)31-32(2)22(12)18-8-20(17(27)9-29-18)37-16-10-33(11-16)24(36)34-19(3-4-30-34)13-5-14(25)7-15(26)6-13/h4-9,16,19H,3,10-11H2,1-2H3,(H2,28,35)
• InChIKey: VYDYMJJPWPXPAE-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 118.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.48
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide (CID 174200499) is 5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide.

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

The canonical SMILES for 5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide is Cc1c(C(N)=O)nn(C)c1-c1cc(OC2CN(C(=O)N3N=CCC3c3cc(F)cc(F)c3)C2)c(F)cn1.

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

The InChIKey is VYDYMJJPWPXPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O3/c1-12-21(23(28)35)31-32(2)22(12)18-8-20(17(27)9-29-18)37-16-10-33(11-16)24(36)34-19(3-4-30-34)13-5-14(25)7-15(26)6-13/h4-9,16,19H,3,10-11H2,1-2H3,(H2,28,35).

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

5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 513.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 174200499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).