N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide

C26H21F4N5O3 — CID 138687264

About N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide

N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide (PubChem CID 138687264) has the molecular formula C26H21F4N5O3 and a molecular weight of 527.48 g/mol. Its IUPAC name is N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide.

Molecular Properties

• Compound Name: N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
• PubChem CID: 138687264
• Molecular Formula: C26H21F4N5O3
• Molecular Weight: 527.48 g/mol
• Exact Mass: 527.16
• IUPAC Name: N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
• SMILES: Cn1cc(-n2ncc3cc(N4C(=O)C[C@H](NC(=O)C(C)(F)F)[C@H]4c4ccc(F)cc4F)ccc32)ccc1=O
• InChI: InChI=1S/C26H21F4N5O3/c1-26(29,30)25(38)32-20-11-23(37)34(24(20)18-6-3-15(27)10-19(18)28)16-4-7-21-14(9-16)12-31-35(21)17-5-8-22(36)33(2)13-17/h3-10,12-13,20,24H,11H2,1-2H3,(H,32,38)/t20-,24+/m0/s1
• InChIKey: PXPGCPMFBSDGSJ-GBXCKJPGSA-N
• XLogP: 3.62
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.48
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide?

The IUPAC name of N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide (CID 138687264) is N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide.

What is the SMILES notation for N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide?

The canonical SMILES for N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide is Cn1cc(-n2ncc3cc(N4C(=O)C[C@H](NC(=O)C(C)(F)F)[C@H]4c4ccc(F)cc4F)ccc32)ccc1=O.

What is the InChIKey of N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide?

The InChIKey is PXPGCPMFBSDGSJ-GBXCKJPGSA-N. The full InChI is InChI=1S/C26H21F4N5O3/c1-26(29,30)25(38)32-20-11-23(37)34(24(20)18-6-3-15(27)10-19(18)28)16-4-7-21-14(9-16)12-31-35(21)17-5-8-22(36)33(2)13-17/h3-10,12-13,20,24H,11H2,1-2H3,(H,32,38)/t20-,24+/m0/s1.

What are the key properties of N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide?

N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide has a molecular weight of 527.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S)-2-(2,4-difluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide is sourced from PubChem (CID 138687264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).