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

C27H26F3N7O4 — CID 174204923

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

3-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethyl-N-(oxetan-3-yl)pyrazole-5-carboxamide (PubChem CID 174204923) has the molecular formula C27H26F3N7O4 and a molecular weight of 569.54 g/mol. Its IUPAC name is 3-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethyl-N-(oxetan-3-yl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethyl-N-(oxetan-3-yl)pyrazole-5-carboxamide
• PubChem CID: 174204923
• Molecular Formula: C27H26F3N7O4
• Molecular Weight: 569.54 g/mol
• Exact Mass: 569.20
• IUPAC Name: 3-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethyl-N-(oxetan-3-yl)pyrazole-5-carboxamide
• SMILES: Cc1c(-c2cc(OC3CN(C(=O)N4N=CCC4c4cc(F)cc(F)c4)C3)c(F)cn2)nn(C)c1C(=O)NC1COC1
• InChI: InChI=1S/C27H26F3N7O4/c1-14-24(34-35(2)25(14)26(38)33-18-12-40-13-18)21-8-23(20(30)9-31-21)41-19-10-36(11-19)27(39)37-22(3-4-32-37)15-5-16(28)7-17(29)6-15/h4-9,18-19,22H,3,10-13H2,1-2H3,(H,33,38)
• InChIKey: DSZUEVWRJYZQOH-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 114.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.54
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethyl-N-(oxetan-3-yl)pyrazole-5-carboxamide (CID 174204923) is 3-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethyl-N-(oxetan-3-yl)pyrazole-5-carboxamide.

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

The canonical SMILES for 3-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethyl-N-(oxetan-3-yl)pyrazole-5-carboxamide is Cc1c(-c2cc(OC3CN(C(=O)N4N=CCC4c4cc(F)cc(F)c4)C3)c(F)cn2)nn(C)c1C(=O)NC1COC1.

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

The InChIKey is DSZUEVWRJYZQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N7O4/c1-14-24(34-35(2)25(14)26(38)33-18-12-40-13-18)21-8-23(20(30)9-31-21)41-19-10-36(11-19)27(39)37-22(3-4-32-37)15-5-16(28)7-17(29)6-15/h4-9,18-19,22H,3,10-13H2,1-2H3,(H,33,38).

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

3-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethyl-N-(oxetan-3-yl)pyrazole-5-carboxamide has a molecular weight of 569.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethyl-N-(oxetan-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 174204923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).