N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide

C21H20N4O2 — CID 57396001

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m0/s1
InChIKeyCMZGQSDEDHCVNT-ZDUSSCGKSA-N
MW360.42 g/mol
LogP4.06
Rot. Bonds5

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide

N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (PubChem CID 57396001) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
PubChem CID57396001
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m0/s1
InChIKeyCMZGQSDEDHCVNT-ZDUSSCGKSA-N
XLogP4.06
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide (CID 57396001) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is COc1cccc([C@H](C)NC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
The InChIKey is CMZGQSDEDHCVNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 57396001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).