1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide

C34H27F2N6O4- — CID 156619948

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)C(/C=C2\[CH-]N=CN2)C(=O)N3)c2ccccc2)c(=O)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C34H27F2N6O4/c1-19-7-10-24(34(46)42(19)17-20-8-11-27(35)28(36)13-20)31(43)41-30(21-5-3-2-4-6-21)33(45)39-22-9-12-29-25(14-22)26(32(44)40-29)15-23-16-37-18-38-23/h2-16,18,26,30H,17H2,1H3,(H,37,38)(H,39,45)(H,40,44)(H,41,43)/q-1/b23-15+/t26?,30-/m1/s1
InChIKeyOJXGQESUVYTSIC-YKBHWDJRSA-N
MW621.62 g/mol
LogP4.31
Rot. Bonds8

About 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 156619948) has the molecular formula C34H27F2N6O4- and a molecular weight of 621.62 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID156619948
Molecular FormulaC34H27F2N6O4-
Molecular Weight621.62 g/mol
Exact Mass621.21
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)C(/C=C2\[CH-]N=CN2)C(=O)N3)c2ccccc2)c(=O)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C34H27F2N6O4/c1-19-7-10-24(34(46)42(19)17-20-8-11-27(35)28(36)13-20)31(43)41-30(21-5-3-2-4-6-21)33(45)39-22-9-12-29-25(14-22)26(32(44)40-29)15-23-16-37-18-38-23/h2-16,18,26,30H,17H2,1H3,(H,37,38)(H,39,45)(H,40,44)(H,41,43)/q-1/b23-15+/t26?,30-/m1/s1
InChIKeyOJXGQESUVYTSIC-YKBHWDJRSA-N
XLogP4.31
TPSA133.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.62
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide (CID 156619948) is 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc3c(c2)C(/C=C2\[CH-]N=CN2)C(=O)N3)c2ccccc2)c(=O)n1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is OJXGQESUVYTSIC-YKBHWDJRSA-N. The full InChI is InChI=1S/C34H27F2N6O4/c1-19-7-10-24(34(46)42(19)17-20-8-11-27(35)28(36)13-20)31(43)41-30(21-5-3-2-4-6-21)33(45)39-22-9-12-29-25(14-22)26(32(44)40-29)15-23-16-37-18-38-23/h2-16,18,26,30H,17H2,1H3,(H,37,38)(H,39,45)(H,40,44)(H,41,43)/q-1/b23-15+/t26?,30-/m1/s1.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 621.62 g/mol, XLogP of 4.31, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-[(E)-1,4-dihydroimidazol-4-id-5-ylidenemethyl]-2-oxo-1,3-dihydroindol-5-yl]amino]-2-oxo-1-phenylethyl]-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 156619948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).