(4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one

C22H24N4O2 — CID 97125209

IUPAC(4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one
SMILESCOc1cccc(Cn2nc(C)nc2CN2C[C@@H](c3ccccc3)CC2=O)c1
InChIInChI=1S/C22H24N4O2/c1-16-23-21(26(24-16)13-17-7-6-10-20(11-17)28-2)15-25-14-19(12-22(25)27)18-8-4-3-5-9-18/h3-11,19H,12-15H2,1-2H3/t19-/m0/s1
InChIKeyPPZNAGDSVLWEHE-IBGZPJMESA-N
MW376.46 g/mol
LogP3.16
Rot. Bonds6

About (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one

(4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one (PubChem CID 97125209) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one
PubChem CID97125209
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one
SMILESCOc1cccc(Cn2nc(C)nc2CN2C[C@@H](c3ccccc3)CC2=O)c1
InChIInChI=1S/C22H24N4O2/c1-16-23-21(26(24-16)13-17-7-6-10-20(11-17)28-2)15-25-14-19(12-22(25)27)18-8-4-3-5-9-18/h3-11,19H,12-15H2,1-2H3/t19-/m0/s1
InChIKeyPPZNAGDSVLWEHE-IBGZPJMESA-N
XLogP3.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one 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-[(3-methoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708642
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 72876939
(5S)-1-[(3-methoxyphenyl)methyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97130321
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
(4R)-1-benzyl-4-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813436
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
(5S)-1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one
CID 97211071
1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one
CID 72940900
1-[(4-methoxyphenyl)methyl]-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242808

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one (CID 97125209) is (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one is COc1cccc(Cn2nc(C)nc2CN2C[C@@H](c3ccccc3)CC2=O)c1.
What is the InChIKey of (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one?
The InChIKey is PPZNAGDSVLWEHE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-23-21(26(24-16)13-17-7-6-10-20(11-17)28-2)15-25-14-19(12-22(25)27)18-8-4-3-5-9-18/h3-11,19H,12-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one?
(4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 97125209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).