N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C21H26N4O2 — CID 125164849

IUPACN-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCc1cccc(N2C[C@H](NC(=O)CCc3n[nH]c4c3CCCC4)CC2=O)c1
InChIInChI=1S/C21H26N4O2/c1-14-5-4-6-16(11-14)25-13-15(12-21(25)27)22-20(26)10-9-19-17-7-2-3-8-18(17)23-24-19/h4-6,11,15H,2-3,7-10,12-13H2,1H3,(H,22,26)(H,23,24)/t15-/m1/s1
InChIKeyDMOZNTHEZVBRBD-OAHLLOKOSA-N
MW366.47 g/mol
LogP2.45
Rot. Bonds5

About N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 125164849) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID125164849
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCc1cccc(N2C[C@H](NC(=O)CCc3n[nH]c4c3CCCC4)CC2=O)c1
InChIInChI=1S/C21H26N4O2/c1-14-5-4-6-16(11-14)25-13-15(12-21(25)27)22-20(26)10-9-19-17-7-2-3-8-18(17)23-24-19/h4-6,11,15H,2-3,7-10,12-13H2,1H3,(H,22,26)(H,23,24)/t15-/m1/s1
InChIKeyDMOZNTHEZVBRBD-OAHLLOKOSA-N
XLogP2.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide 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

2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91768696
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 125157518
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 125159232
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 7255110
(3R)-N,N-dimethyl-3-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]azepane-1-carboxamide
CID 96580100
N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 166541560
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
N-(2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131942976
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 7255127
3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 125164849) is N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is Cc1cccc(N2C[C@H](NC(=O)CCc3n[nH]c4c3CCCC4)CC2=O)c1.
What is the InChIKey of N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is DMOZNTHEZVBRBD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-5-4-6-16(11-14)25-13-15(12-21(25)27)22-20(26)10-9-19-17-7-2-3-8-18(17)23-24-19/h4-6,11,15H,2-3,7-10,12-13H2,1H3,(H,22,26)(H,23,24)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 125164849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).