2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide

C26H24F3N5O3 — CID 142607924

IUPAC2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide
SMILES[H]/N=C/c1cc(N2C(=O)C[C@@H](NC(=O)C(C)(F)F)[C@@H]2c2ccc(F)cc2)ccc1Nc1ccc(=O)n(C)c1
InChIInChI=1S/C26H24F3N5O3/c1-26(28,29)25(37)32-21-12-23(36)34(24(21)15-3-5-17(27)6-4-15)19-8-9-20(16(11-19)13-30)31-18-7-10-22(35)33(2)14-18/h3-11,13-14,21,24,30-31H,12H2,1-2H3,(H,32,37)/b30-13+/t21-,24+/m1/s1
InChIKeyYBVXIPRSMZAPKM-GEVBUGFMSA-N
MW511.50 g/mol
LogP3.88
Rot. Bonds7

About 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 142607924) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide
PubChem CID142607924
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide
SMILES[H]/N=C/c1cc(N2C(=O)C[C@@H](NC(=O)C(C)(F)F)[C@@H]2c2ccc(F)cc2)ccc1Nc1ccc(=O)n(C)c1
InChIInChI=1S/C26H24F3N5O3/c1-26(28,29)25(37)32-21-12-23(36)34(24(21)15-3-5-17(27)6-4-15)19-8-9-20(16(11-19)13-30)31-18-7-10-22(35)33(2)14-18/h3-11,13-14,21,24,30-31H,12H2,1-2H3,(H,32,37)/b30-13+/t21-,24+/m1/s1
InChIKeyYBVXIPRSMZAPKM-GEVBUGFMSA-N
XLogP3.88
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-N-[(2S,3R)-2-(3-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide
CID 142608007
N-[(2R,3S)-1-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 154642039
2,2-difluoro-N-[2-(4-fluoro-3-methoxyphenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
CID 138687242
2,2-difluoro-N-[1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2-benzoxazol-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 155414156
N-[(3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 152859429
2,2-difluoro-N-[(5S)-10-fluoro-16-(1-methyl-6-oxo-3-pyridinyl)-3-oxo-2,16,17-triazapentacyclo[11.7.0.02,6.07,12.015,19]icosa-1(13),7(12),8,10,14,17,19-heptaen-5-yl]propanamide
CID 162573855
2-cyclopropyl-N-[1-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 166989453
3-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-N-(2-hydroxycyclopentyl)-2,2-dimethyl-4-phenylbutanamide
CID 89276485
1-[(2R)-2-benzyl-4-[4-(4-fluoroanilino)-3-methanimidoylphenyl]piperazin-1-yl]ethanone
CID 166916302
2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 138684674
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
N-[1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684509

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide (CID 142607924) is 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide is [H]/N=C/c1cc(N2C(=O)C[C@@H](NC(=O)C(C)(F)F)[C@@H]2c2ccc(F)cc2)ccc1Nc1ccc(=O)n(C)c1.
What is the InChIKey of 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is YBVXIPRSMZAPKM-GEVBUGFMSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-26(28,29)25(37)32-21-12-23(36)34(24(21)15-3-5-17(27)6-4-15)19-8-9-20(16(11-19)13-30)31-18-7-10-22(35)33(2)14-18/h3-11,13-14,21,24,30-31H,12H2,1-2H3,(H,32,37)/b30-13+/t21-,24+/m1/s1.
What are the key properties of 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 511.50 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[3-methanimidoyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]phenyl]-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 142607924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).