2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

C27H25F2N5O3 — CID 138687342

About 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (PubChem CID 138687342) has the molecular formula C27H25F2N5O3 and a molecular weight of 505.53 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
• PubChem CID: 138687342
• Molecular Formula: C27H25F2N5O3
• Molecular Weight: 505.53 g/mol
• Exact Mass: 505.19
• IUPAC Name: 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
• SMILES: Cn1ccc(Cn2ncc3cc(N4C(=O)C[C@@H](NC(=O)C(C)(F)F)[C@@H]4c4ccccc4)ccc32)cc1=O
• InChI: InChI=1S/C27H25F2N5O3/c1-27(28,29)26(37)31-21-14-24(36)34(25(21)18-6-4-3-5-7-18)20-8-9-22-19(13-20)15-30-33(22)16-17-10-11-32(2)23(35)12-17/h3-13,15,21,25H,14,16H2,1-2H3,(H,31,37)/t21-,25+/m1/s1
• InChIKey: UDRZGZQEYVWOII-BWKNWUBXSA-N
• XLogP: 3.40
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.53
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?

The IUPAC name of 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (CID 138687342) is 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

What is the SMILES notation for 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?

The canonical SMILES for 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is Cn1ccc(Cn2ncc3cc(N4C(=O)C[C@@H](NC(=O)C(C)(F)F)[C@@H]4c4ccccc4)ccc32)cc1=O.

What is the InChIKey of 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?

The InChIKey is UDRZGZQEYVWOII-BWKNWUBXSA-N. The full InChI is InChI=1S/C27H25F2N5O3/c1-27(28,29)26(37)31-21-14-24(36)34(25(21)18-6-4-3-5-7-18)20-8-9-22-19(13-20)15-30-33(22)16-17-10-11-32(2)23(35)12-17/h3-13,15,21,25H,14,16H2,1-2H3,(H,31,37)/t21-,25+/m1/s1.

What are the key properties of 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?

2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 505.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[(2S,3R)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138687342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).