[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate

C26H23FN4O4 — CID 175156881

IUPAC[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate
SMILESCOc1ccc([C@@H]2[C@@H](OC(N)=O)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C26H23FN4O4/c1-15-24(35-26(28)33)23(16-3-10-21(34-2)11-4-16)30(25(15)32)20-9-12-22-17(13-20)14-29-31(22)19-7-5-18(27)6-8-19/h3-15,23-24H,1-2H3,(H2,28,33)/t15-,23+,24-/m0/s1
InChIKeyFAEPWHKZZXQNHS-XXEARWCOSA-N
MW474.49 g/mol
LogP4.36
Rot. Bonds5

About [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate

[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate (PubChem CID 175156881) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate
PubChem CID175156881
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate
SMILESCOc1ccc([C@@H]2[C@@H](OC(N)=O)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C26H23FN4O4/c1-15-24(35-26(28)33)23(16-3-10-21(34-2)11-4-16)30(25(15)32)20-9-12-22-17(13-20)14-29-31(22)19-7-5-18(27)6-8-19/h3-15,23-24H,1-2H3,(H2,28,33)/t15-,23+,24-/m0/s1
InChIKeyFAEPWHKZZXQNHS-XXEARWCOSA-N
XLogP4.36
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate 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

benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 154598116
N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(3-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 155249726
2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 175167208
2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 175156813
1-[(2R,3S,4S)-2-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 175158042
2,2-difluoro-N-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 154641900
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
(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598046
N-[(2R,3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 154598131
(5S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-methyl-5-phenylpyrrolidin-2-one;4-methyl-1,3-thiazole-5-carboxamide;molecular hydrogen
CID 155714144
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-[(3S,4R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 154641950

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate?
The IUPAC name of [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate (CID 175156881) is [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate.
What is the SMILES notation for [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate?
The canonical SMILES for [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate is COc1ccc([C@@H]2[C@@H](OC(N)=O)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate?
The InChIKey is FAEPWHKZZXQNHS-XXEARWCOSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-15-24(35-26(28)33)23(16-3-10-21(34-2)11-4-16)30(25(15)32)20-9-12-22-17(13-20)14-29-31(22)19-7-5-18(27)6-8-19/h3-15,23-24H,1-2H3,(H2,28,33)/t15-,23+,24-/m0/s1.
What are the key properties of [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate?
[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate has a molecular weight of 474.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate is sourced from PubChem (CID 175156881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).