N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide

C21H16N8O2 — CID 67552288

IUPACN-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)C4CC4)c3[nH]2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C21H16N8O2/c22-10-11-4-7-15(14(8-11)19-26-28-29-27-19)24-21(31)17-9-13-2-1-3-16(18(13)23-17)25-20(30)12-5-6-12/h1-4,7-9,12,23H,5-6H2,(H,24,31)(H,25,30)(H,26,27,28,29)
InChIKeyMFSJRACMZQFPSS-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.82
Rot. Bonds5

About N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide

N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide (PubChem CID 67552288) has the molecular formula C21H16N8O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide
PubChem CID67552288
Molecular FormulaC21H16N8O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC NameN-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)C4CC4)c3[nH]2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C21H16N8O2/c22-10-11-4-7-15(14(8-11)19-26-28-29-27-19)24-21(31)17-9-13-2-1-3-16(18(13)23-17)25-20(30)12-5-6-12/h1-4,7-9,12,23H,5-6H2,(H,24,31)(H,25,30)(H,26,27,28,29)
InChIKeyMFSJRACMZQFPSS-UHFFFAOYSA-N
XLogP2.82
TPSA152.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-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-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide?
The IUPAC name of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide (CID 67552288) is N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide is N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)C4CC4)c3[nH]2)c(-c2nn[nH]n2)c1.
What is the InChIKey of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide?
The InChIKey is MFSJRACMZQFPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8O2/c22-10-11-4-7-15(14(8-11)19-26-28-29-27-19)24-21(31)17-9-13-2-1-3-16(18(13)23-17)25-20(30)12-5-6-12/h1-4,7-9,12,23H,5-6H2,(H,24,31)(H,25,30)(H,26,27,28,29).
What are the key properties of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide?
N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 67552288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).