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

C29H29FN4O — CID 170105316

IUPAC(5R)-4-(cyclopropylmethylamino)-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)C1NCC1CC1
InChIInChI=1S/C29H29FN4O/c1-29(2)27(31-17-19-8-9-19)26(20-6-4-3-5-7-20)33(28(29)35)24-14-15-25-21(16-24)18-32-34(25)23-12-10-22(30)11-13-23/h3-7,10-16,18-19,26-27,31H,8-9,17H2,1-2H3/t26-,27?/m1/s1
InChIKeyGBZHQZRJWIUEDW-AVJYQCBHSA-N
MW468.58 g/mol
LogP5.65
Rot. Bonds6

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

(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one (PubChem CID 170105316) has the molecular formula C29H29FN4O and a molecular weight of 468.58 g/mol. Its IUPAC name is (5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
PubChem CID170105316
Molecular FormulaC29H29FN4O
Molecular Weight468.58 g/mol
Exact Mass468.23
IUPAC Name(5R)-4-(cyclopropylmethylamino)-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)C1NCC1CC1
InChIInChI=1S/C29H29FN4O/c1-29(2)27(31-17-19-8-9-19)26(20-6-4-3-5-7-20)33(28(29)35)24-14-15-25-21(16-24)18-32-34(25)23-12-10-22(30)11-13-23/h3-7,10-16,18-19,26-27,31H,8-9,17H2,1-2H3/t26-,27?/m1/s1
InChIKeyGBZHQZRJWIUEDW-AVJYQCBHSA-N
XLogP5.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
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
(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598046
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 154598155
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-[(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
(4S,5R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-(methylamino)-5-phenylpyrrolidin-2-one
CID 170105272
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
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 156742102
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-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 138684895
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

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
The IUPAC name of (5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one (CID 170105316) is (5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
The canonical SMILES for (5R)-4-(cyclopropylmethylamino)-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)C1NCC1CC1.
What is the InChIKey of (5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
The InChIKey is GBZHQZRJWIUEDW-AVJYQCBHSA-N. The full InChI is InChI=1S/C29H29FN4O/c1-29(2)27(31-17-19-8-9-19)26(20-6-4-3-5-7-20)33(28(29)35)24-14-15-25-21(16-24)18-32-34(25)23-12-10-22(30)11-13-23/h3-7,10-16,18-19,26-27,31H,8-9,17H2,1-2H3/t26-,27?/m1/s1.
What are the key properties of (5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one has a molecular weight of 468.58 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 170105316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).