(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one

C25H23FN4O — CID 154598046

IUPAC(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
SMILESCC1(C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](c2ccccc2)[C@@H]1N
InChIInChI=1S/C25H23FN4O/c1-25(2)23(27)22(16-6-4-3-5-7-16)29(24(25)31)20-12-13-21-17(14-20)15-28-30(21)19-10-8-18(26)9-11-19/h3-15,22-23H,27H2,1-2H3/t22-,23-/m0/s1
InChIKeyHSSZAPGWOQHOKW-GOTSBHOMSA-N
MW414.48 g/mol
LogP4.61
Rot. Bonds3

About (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one

(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one (PubChem CID 154598046) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
PubChem CID154598046
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
SMILESCC1(C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](c2ccccc2)[C@@H]1N
InChIInChI=1S/C25H23FN4O/c1-25(2)23(27)22(16-6-4-3-5-7-16)29(24(25)31)20-12-13-21-17(14-20)15-28-30(21)19-10-8-18(26)9-11-19/h3-15,22-23H,27H2,1-2H3/t22-,23-/m0/s1
InChIKeyHSSZAPGWOQHOKW-GOTSBHOMSA-N
XLogP4.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598107
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 170105316
ethane;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 154641896
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 154598155
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)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 154598120
N-[(4S)-4-(2,2-difluoroethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 167017749
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 138684895
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 156742102
1-[(2R,3S,4R)-4-(2,2-difluoroethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 175157957

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one (CID 154598046) is (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one is CC1(C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](c2ccccc2)[C@@H]1N.
What is the InChIKey of (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
The InChIKey is HSSZAPGWOQHOKW-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-25(2)23(27)22(16-6-4-3-5-7-16)29(24(25)31)20-12-13-21-17(14-20)15-28-30(21)19-10-8-18(26)9-11-19/h3-15,22-23H,27H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one has a molecular weight of 414.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 154598046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).