(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C25H26FN3O3 — CID 95098830

IUPAC(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CCC2)C1
InChIInChI=1S/C25H26FN3O3/c26-20-6-4-16(5-7-20)14-27-24(31)19-13-23(30)29(15-19)21-8-9-22-18(12-21)10-11-28(22)25(32)17-2-1-3-17/h4-9,12,17,19H,1-3,10-11,13-15H2,(H,27,31)/t19-/m0/s1
InChIKeyXYCXIRGDTFQHFR-IBGZPJMESA-N
MW435.50 g/mol
LogP3.18
Rot. Bonds5

About (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95098830) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95098830
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CCC2)C1
InChIInChI=1S/C25H26FN3O3/c26-20-6-4-16(5-7-20)14-27-24(31)19-13-23(30)29(15-19)21-8-9-22-18(12-21)10-11-28(22)25(32)17-2-1-3-17/h4-9,12,17,19H,1-3,10-11,13-15H2,(H,27,31)/t19-/m0/s1
InChIKeyXYCXIRGDTFQHFR-IBGZPJMESA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-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

(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098722
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098298
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098297
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 53155840
N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155746
1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155872
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155687
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098495
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098496
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155688
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 53155852

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 95098830) is (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CCC2)C1.
What is the InChIKey of (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XYCXIRGDTFQHFR-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26FN3O3/c26-20-6-4-16(5-7-20)14-27-24(31)19-13-23(30)29(15-19)21-8-9-22-18(12-21)10-11-28(22)25(32)17-2-1-3-17/h4-9,12,17,19H,1-3,10-11,13-15H2,(H,27,31)/t19-/m0/s1.
What are the key properties of (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95098830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).