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

C24H22FN5O — CID 154598107

IUPAC(4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
SMILESCC1(C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)n2)[C@H](c2ccccc2)[C@H]1N
InChIInChI=1S/C24H22FN5O/c1-24(2)22(26)21(15-6-4-3-5-7-15)29(23(24)31)20-13-12-19-18(28-20)14-27-30(19)17-10-8-16(25)9-11-17/h3-14,21-22H,26H2,1-2H3/t21-,22-/m1/s1
InChIKeyARGUIVTYTDDAFK-FGZHOGPDSA-N
MW415.47 g/mol
LogP4.00
Rot. Bonds3

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

(4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one (PubChem CID 154598107) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
PubChem CID154598107
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name(4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
SMILESCC1(C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)n2)[C@H](c2ccccc2)[C@H]1N
InChIInChI=1S/C24H22FN5O/c1-24(2)22(26)21(15-6-4-3-5-7-15)29(23(24)31)20-13-12-19-18(28-20)14-27-30(19)17-10-8-16(25)9-11-17/h3-14,21-22H,26H2,1-2H3/t21-,22-/m1/s1
InChIKeyARGUIVTYTDDAFK-FGZHOGPDSA-N
XLogP4.00
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one 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

(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598046
5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine;ethane;N-[(6R,7S)-5-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide;N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide
CID 161243489
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
(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 170105316
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
CID 164955972
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 154598155
(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
5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine
CID 91568292
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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
The IUPAC name of (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one (CID 154598107) is (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
The canonical SMILES for (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one is CC1(C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)n2)[C@H](c2ccccc2)[C@H]1N.
What is the InChIKey of (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
The InChIKey is ARGUIVTYTDDAFK-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-24(2)22(26)21(15-6-4-3-5-7-15)29(23(24)31)20-13-12-19-18(28-20)14-27-30(19)17-10-8-16(25)9-11-17/h3-14,21-22H,26H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one?
(4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one has a molecular weight of 415.47 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-amino-1-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 154598107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).