1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C24H25N5O3 — CID 56523844

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)n2)cc1
InChIInChI=1S/C24H25N5O3/c1-32-20-9-6-16(7-10-20)23-26-21(27-28-23)13-25-24(31)18-12-22(30)29(14-18)19-8-5-15-3-2-4-17(15)11-19/h5-11,18H,2-4,12-14H2,1H3,(H,25,31)(H,26,27,28)
InChIKeyQOTWPMINUJVBPZ-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.64
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 56523844) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID56523844
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)n2)cc1
InChIInChI=1S/C24H25N5O3/c1-32-20-9-6-16(7-10-20)23-26-21(27-28-23)13-25-24(31)18-12-22(30)29(14-18)19-8-5-15-3-2-4-17(15)11-19/h5-11,18H,2-4,12-14H2,1H3,(H,25,31)(H,26,27,28)
InChIKeyQOTWPMINUJVBPZ-UHFFFAOYSA-N
XLogP2.64
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]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

1-(4-ethylphenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56524766
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119776095
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94333773
1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 167780443
tert-butyl 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 56524382
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626515
1-(3,5-dimethylbenzoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 56524012
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 56523844) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(-c2n[nH]c(CNC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)n2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QOTWPMINUJVBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-32-20-9-6-16(7-10-20)23-26-21(27-28-23)13-25-24(31)18-12-22(30)29(14-18)19-8-5-15-3-2-4-17(15)11-19/h5-11,18H,2-4,12-14H2,1H3,(H,25,31)(H,26,27,28).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56523844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).