5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one

C25H24N4O2 — CID 170105429

IUPAC5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one
SMILESCn1cc(-n2ncc3cc(N4C(=O)C(C)(C)C[C@H]4c4ccccc4)ccc32)ccc1=O
InChIInChI=1S/C25H24N4O2/c1-25(2)14-22(17-7-5-4-6-8-17)28(24(25)31)19-9-11-21-18(13-19)15-26-29(21)20-10-12-23(30)27(3)16-20/h4-13,15-16,22H,14H2,1-3H3/t22-/m0/s1
InChIKeyJIJBBHGTHKUBNU-QFIPXVFZSA-N
MW412.49 g/mol
LogP4.23
Rot. Bonds3

About 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one

5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one (PubChem CID 170105429) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one
PubChem CID170105429
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one
SMILESCn1cc(-n2ncc3cc(N4C(=O)C(C)(C)C[C@H]4c4ccccc4)ccc32)ccc1=O
InChIInChI=1S/C25H24N4O2/c1-25(2)14-22(17-7-5-4-6-8-17)28(24(25)31)19-9-11-21-18(13-19)15-26-29(21)20-10-12-23(30)27(3)16-20/h4-13,15-16,22H,14H2,1-3H3/t22-/m0/s1
InChIKeyJIJBBHGTHKUBNU-QFIPXVFZSA-N
XLogP4.23
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one with MolForge

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Related Compounds

1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 138687282
N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
CID 154598112
N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 154598308
2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 175047378
1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrazole-3-carboxamide
CID 138687280
2,2-difluoro-N-[(3R)-2-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-3-phenyl-1,2-thiazolidin-4-yl]propanamide
CID 170105517
(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598046
5-[5-[(1R,2S)-2-amino-3-methyl-1-phenylbutoxy]indazol-1-yl]-1-methylpyridin-2-one
CID 121248205
1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 175360473
(4S,5R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-(methylamino)-5-phenylpyrrolidin-2-one
CID 170105272
N-[(2S,3R)-2-(3-chlorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3-chlorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine
CID 159232906
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one (CID 170105429) is 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one is Cn1cc(-n2ncc3cc(N4C(=O)C(C)(C)C[C@H]4c4ccccc4)ccc32)ccc1=O.
What is the InChIKey of 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one?
The InChIKey is JIJBBHGTHKUBNU-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-25(2)14-22(17-7-5-4-6-8-17)28(24(25)31)19-9-11-21-18(13-19)15-26-29(21)20-10-12-23(30)27(3)16-20/h4-13,15-16,22H,14H2,1-3H3/t22-/m0/s1.
What are the key properties of 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one?
5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one has a molecular weight of 412.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5S)-3,3-dimethyl-2-oxo-5-phenylpyrrolidin-1-yl]indazol-1-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 170105429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).