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

C27H28F3N7O3 — CID 166857584

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

2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide (PubChem CID 166857584) has the molecular formula C27H28F3N7O3 and a molecular weight of 555.56 g/mol. Its IUPAC name is 2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
• PubChem CID: 166857584
• Molecular Formula: C27H28F3N7O3
• Molecular Weight: 555.56 g/mol
• Exact Mass: 555.22
• IUPAC Name: 2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
• SMILES: Cc1nn(-c2cc(OC3CN(C(=O)N4N=CCC4c4cc(F)cc(F)c4)C3)c(F)cn2)c(C)c1C(C)(C)C(N)=O
• InChI: InChI=1S/C27H28F3N7O3/c1-14-24(27(3,4)25(31)38)15(2)36(34-14)23-10-22(20(30)11-32-23)40-19-12-35(13-19)26(39)37-21(5-6-33-37)16-7-17(28)9-18(29)8-16/h6-11,19,21H,5,12-13H2,1-4H3,(H2,31,38)
• InChIKey: QWFZPWMPGKAZED-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 118.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.56
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide (CID 166857584) is 2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide.

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

The canonical SMILES for 2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide is Cc1nn(-c2cc(OC3CN(C(=O)N4N=CCC4c4cc(F)cc(F)c4)C3)c(F)cn2)c(C)c1C(C)(C)C(N)=O.

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

The InChIKey is QWFZPWMPGKAZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O3/c1-14-24(27(3,4)25(31)38)15(2)36(34-14)23-10-22(20(30)11-32-23)40-19-12-35(13-19)26(39)37-21(5-6-33-37)16-7-17(28)9-18(29)8-16/h6-11,19,21H,5,12-13H2,1-4H3,(H2,31,38).

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

2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide has a molecular weight of 555.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 166857584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).