N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C26H25ClN4O2 — CID 57410414

IUPACN-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Oc5ccccc5Cl)C4)cc23)ccn1
InChIInChI=1S/C26H25ClN4O2/c1-16-13-17(11-12-28-16)25-21-14-18(9-10-23(21)30-31-25)26(32)29-19-5-4-6-20(15-19)33-24-8-3-2-7-22(24)27/h2-3,7-14,19-20H,4-6,15H2,1H3,(H,29,32)(H,30,31)
InChIKeyTVJNDFYIDSDYEN-UHFFFAOYSA-N
MW460.97 g/mol
LogP5.71
Rot. Bonds5

About N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 57410414) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID57410414
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC NameN-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Oc5ccccc5Cl)C4)cc23)ccn1
InChIInChI=1S/C26H25ClN4O2/c1-16-13-17(11-12-28-16)25-21-14-18(9-10-23(21)30-31-25)26(32)29-19-5-4-6-20(15-19)33-24-8-3-2-7-22(24)27/h2-3,7-14,19-20H,4-6,15H2,1H3,(H,29,32)(H,30,31)
InChIKeyTVJNDFYIDSDYEN-UHFFFAOYSA-N
XLogP5.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.97
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-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-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 57410414) is N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Oc5ccccc5Cl)C4)cc23)ccn1.
What is the InChIKey of N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is TVJNDFYIDSDYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c1-16-13-17(11-12-28-16)25-21-14-18(9-10-23(21)30-31-25)26(32)29-19-5-4-6-20(15-19)33-24-8-3-2-7-22(24)27/h2-3,7-14,19-20H,4-6,15H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 460.97 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 57410414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).