(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide

C20H19N5O2 — CID 175994897

IUPAC(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
SMILESCOc1cccc([C@H](N)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c1
InChIInChI=1S/C20H19N5O2/c1-27-14-5-2-4-12(8-14)18(21)20(26)25-17-7-3-6-15-16(11-22-19(15)17)13-9-23-24-10-13/h2-11,18,22H,21H2,1H3,(H,23,24)(H,25,26)/t18-/m0/s1
InChIKeySVNGURKOQJJWMB-SFHVURJKSA-N
MW361.41 g/mol
LogP3.21
Rot. Bonds5

About (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide

(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide (PubChem CID 175994897) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
PubChem CID175994897
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
SMILESCOc1cccc([C@H](N)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c1
InChIInChI=1S/C20H19N5O2/c1-27-14-5-2-4-12(8-14)18(21)20(26)25-17-7-3-6-15-16(11-22-19(15)17)13-9-23-24-10-13/h2-11,18,22H,21H2,1H3,(H,23,24)(H,25,26)/t18-/m0/s1
InChIKeySVNGURKOQJJWMB-SFHVURJKSA-N
XLogP3.21
TPSA108.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide 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

(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 178185458
(2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 178185488
2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994895
3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994824
N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide
CID 170599014
3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide
CID 175994843
2-(3-methoxyphenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425440
2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 70797024
CID 88978617
CID 88978617
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
2-amino-2-(3-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116849865
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
The IUPAC name of (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide (CID 175994897) is (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide.
What is the SMILES notation for (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
The canonical SMILES for (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide is COc1cccc([C@H](N)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c1.
What is the InChIKey of (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
The InChIKey is SVNGURKOQJJWMB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-27-14-5-2-4-12(8-14)18(21)20(26)25-17-7-3-6-15-16(11-22-19(15)17)13-9-23-24-10-13/h2-11,18,22H,21H2,1H3,(H,23,24)(H,25,26)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide is sourced from PubChem (CID 175994897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).