N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide

C20H16N6O — CID 44540326

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C20H16N6O/c1-26-8-7-22-19(26)20(27)24-17-9-12(10-18-15(17)11-23-25-18)13-3-2-4-16-14(13)5-6-21-16/h2-11,21H,1H3,(H,23,25)(H,24,27)
InChIKeyODQMXFUMGZBIFD-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.70
Rot. Bonds3

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide (PubChem CID 44540326) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide
PubChem CID44540326
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C20H16N6O/c1-26-8-7-22-19(26)20(27)24-17-9-12(10-18-15(17)11-23-25-18)13-3-2-4-16-14(13)5-6-21-16/h2-11,21H,1H3,(H,23,25)(H,24,27)
InChIKeyODQMXFUMGZBIFD-UHFFFAOYSA-N
XLogP3.70
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-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-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide (CID 44540326) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is ODQMXFUMGZBIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-26-8-7-22-19(26)20(27)24-17-9-12(10-18-15(17)11-23-25-18)13-3-2-4-16-14(13)5-6-21-16/h2-11,21H,1H3,(H,23,25)(H,24,27).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 44540326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).