N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide

C30H29N7O — CID 57411733

IUPACN-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCn1cc2cc(-c3n[nH]c4ccc(C(=O)NC5CCCC(Cn6cnc7ccccc76)C5)cc34)ccc2n1
InChIInChI=1S/C30H29N7O/c1-36-17-22-14-20(9-11-25(22)35-36)29-24-15-21(10-12-26(24)33-34-29)30(38)32-23-6-4-5-19(13-23)16-37-18-31-27-7-2-3-8-28(27)37/h2-3,7-12,14-15,17-19,23H,4-6,13,16H2,1H3,(H,32,38)(H,33,34)
InChIKeyPPVQMRGTARSKQQ-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.46
Rot. Bonds5

About N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide

N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (PubChem CID 57411733) has the molecular formula C30H29N7O and a molecular weight of 503.61 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
PubChem CID57411733
Molecular FormulaC30H29N7O
Molecular Weight503.61 g/mol
Exact Mass503.24
IUPAC NameN-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCn1cc2cc(-c3n[nH]c4ccc(C(=O)NC5CCCC(Cn6cnc7ccccc76)C5)cc34)ccc2n1
InChIInChI=1S/C30H29N7O/c1-36-17-22-14-20(9-11-25(22)35-36)29-24-15-21(10-12-26(24)33-34-29)30(38)32-23-6-4-5-19(13-23)16-37-18-31-27-7-2-3-8-28(27)37/h2-3,7-12,14-15,17-19,23H,4-6,13,16H2,1H3,(H,32,38)(H,33,34)
InChIKeyPPVQMRGTARSKQQ-UHFFFAOYSA-N
XLogP5.46
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-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-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (CID 57411733) is N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is Cn1cc2cc(-c3n[nH]c4ccc(C(=O)NC5CCCC(Cn6cnc7ccccc76)C5)cc34)ccc2n1.
What is the InChIKey of N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The InChIKey is PPVQMRGTARSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O/c1-36-17-22-14-20(9-11-25(22)35-36)29-24-15-21(10-12-26(24)33-34-29)30(38)32-23-6-4-5-19(13-23)16-37-18-31-27-7-2-3-8-28(27)37/h2-3,7-12,14-15,17-19,23H,4-6,13,16H2,1H3,(H,32,38)(H,33,34).
What are the key properties of N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 57411733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).