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

C30H26FN5O3 — CID 154598120

IUPACN-[(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
SMILESCc1nocc1C(=O)N[C@H]1[C@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(C)C
InChIInChI=1S/C30H26FN5O3/c1-18-24(17-39-34-18)28(37)33-27-26(19-7-5-4-6-8-19)35(29(38)30(27,2)3)23-13-14-25-20(15-23)16-32-36(25)22-11-9-21(31)10-12-22/h4-17,26-27H,1-3H3,(H,33,37)/t26-,27-/m0/s1
InChIKeyCQNCNEYRZOMEHS-SVBPBHIXSA-N
MW523.57 g/mol
LogP5.37
Rot. Bonds5

About 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

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 (PubChem CID 154598120) has the molecular formula C30H26FN5O3 and a molecular weight of 523.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID154598120
Molecular FormulaC30H26FN5O3
Molecular Weight523.57 g/mol
Exact Mass523.20
IUPAC NameN-[(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
SMILESCc1nocc1C(=O)N[C@H]1[C@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(C)C
InChIInChI=1S/C30H26FN5O3/c1-18-24(17-39-34-18)28(37)33-27-26(19-7-5-4-6-8-19)35(29(38)30(27,2)3)23-13-14-25-20(15-23)16-32-36(25)22-11-9-21(31)10-12-22/h4-17,26-27H,1-3H3,(H,33,37)/t26-,27-/m0/s1
InChIKeyCQNCNEYRZOMEHS-SVBPBHIXSA-N
XLogP5.37
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.57
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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

N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 154598155
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
(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598046
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
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-[(4S)-4-(2,2-difluoroethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 167017749
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-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
(4S,5R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-(methylamino)-5-phenylpyrrolidin-2-one
CID 170105272

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nocc1C(=O)N[C@H]1[C@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C1(C)C.
What is the InChIKey of 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?
The InChIKey is CQNCNEYRZOMEHS-SVBPBHIXSA-N. The full InChI is InChI=1S/C30H26FN5O3/c1-18-24(17-39-34-18)28(37)33-27-26(19-7-5-4-6-8-19)35(29(38)30(27,2)3)23-13-14-25-20(15-23)16-32-36(25)22-11-9-21(31)10-12-22/h4-17,26-27H,1-3H3,(H,33,37)/t26-,27-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 523.57 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154598120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).