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

C26H27N7O — CID 57411732

IUPACN-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCn1cc2cc(-c3n[nH]c4ccc(C(=O)NC5CCCC(Cn6ccnc6)C5)cc34)ccc2n1
InChIInChI=1S/C26H27N7O/c1-32-15-20-12-18(5-7-23(20)31-32)25-22-13-19(6-8-24(22)29-30-25)26(34)28-21-4-2-3-17(11-21)14-33-10-9-27-16-33/h5-10,12-13,15-17,21H,2-4,11,14H2,1H3,(H,28,34)(H,29,30)
InChIKeyYAWQPIVMATULFK-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.30
Rot. Bonds5

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

N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (PubChem CID 57411732) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
PubChem CID57411732
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC NameN-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCn1cc2cc(-c3n[nH]c4ccc(C(=O)NC5CCCC(Cn6ccnc6)C5)cc34)ccc2n1
InChIInChI=1S/C26H27N7O/c1-32-15-20-12-18(5-7-23(20)31-32)25-22-13-19(6-8-24(22)29-30-25)26(34)28-21-4-2-3-17(11-21)14-33-10-9-27-16-33/h5-10,12-13,15-17,21H,2-4,11,14H2,1H3,(H,28,34)(H,29,30)
InChIKeyYAWQPIVMATULFK-UHFFFAOYSA-N
XLogP4.30
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (CID 57411732) is N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is Cn1cc2cc(-c3n[nH]c4ccc(C(=O)NC5CCCC(Cn6ccnc6)C5)cc34)ccc2n1.
What is the InChIKey of N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The InChIKey is YAWQPIVMATULFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-32-15-20-12-18(5-7-23(20)31-32)25-22-13-19(6-8-24(22)29-30-25)26(34)28-21-4-2-3-17(11-21)14-33-10-9-27-16-33/h5-10,12-13,15-17,21H,2-4,11,14H2,1H3,(H,28,34)(H,29,30).
What are the key properties of N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazol-1-ylmethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 57411732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).