benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate

C33H29FN4O4 — CID 154598116

IUPACbenzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate
SMILESCOc1ccc(C2C(NC(=O)OCc3ccccc3)C(C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C33H29FN4O4/c1-21-30(36-33(40)42-20-22-6-4-3-5-7-22)31(23-8-15-28(41-2)16-9-23)37(32(21)39)27-14-17-29-24(18-27)19-35-38(29)26-12-10-25(34)11-13-26/h3-19,21,30-31H,20H2,1-2H3,(H,36,40)
InChIKeyUZYPKRMJMOJYIK-UHFFFAOYSA-N
MW564.62 g/mol
LogP6.19
Rot. Bonds7

About benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate

benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 154598116) has the molecular formula C33H29FN4O4 and a molecular weight of 564.62 g/mol. Its IUPAC name is benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate
PubChem CID154598116
Molecular FormulaC33H29FN4O4
Molecular Weight564.62 g/mol
Exact Mass564.22
IUPAC Namebenzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate
SMILESCOc1ccc(C2C(NC(=O)OCc3ccccc3)C(C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C33H29FN4O4/c1-21-30(36-33(40)42-20-22-6-4-3-5-7-22)31(23-8-15-28(41-2)16-9-23)37(32(21)39)27-14-17-29-24(18-27)19-35-38(29)26-12-10-25(34)11-13-26/h3-19,21,30-31H,20H2,1-2H3,(H,36,40)
InChIKeyUZYPKRMJMOJYIK-UHFFFAOYSA-N
XLogP6.19
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.62
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate
CID 175156881
N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(3-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 155249726
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
N-[(2R,3S,4S)-2-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 154598113
N-[(2R,3S,4R)-2-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 154598189
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
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
N-[(2S,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 154598296
2-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 175167208
N-[(2R,3S,4S)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 154598273
N-[(3S,4S)-2-(5-chlorothiophen-2-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 154994015
(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598046

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate (CID 154598116) is benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate is COc1ccc(C2C(NC(=O)OCc3ccccc3)C(C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is UZYPKRMJMOJYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O4/c1-21-30(36-33(40)42-20-22-6-4-3-5-7-22)31(23-8-15-28(41-2)16-9-23)37(32(21)39)27-14-17-29-24(18-27)19-35-38(29)26-12-10-25(34)11-13-26/h3-19,21,30-31H,20H2,1-2H3,(H,36,40).
What are the key properties of benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate?
benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 564.62 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 154598116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).