4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C22H18ClN7O — CID 167157772

IUPAC4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(-c3ccccn3)n2)ccc1C
InChIInChI=1S/C22H18ClN7O/c1-13-6-7-14(11-18(13)31-2)21-27-22(30(29-21)19-5-3-4-10-24-19)26-17-9-8-16-15(20(17)23)12-25-28-16/h3-12H,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyXMZYKYHECBJDGG-UHFFFAOYSA-N
MW431.89 g/mol
LogP4.92
Rot. Bonds5

About 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine

4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 167157772) has the molecular formula C22H18ClN7O and a molecular weight of 431.89 g/mol. Its IUPAC name is 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID167157772
Molecular FormulaC22H18ClN7O
Molecular Weight431.89 g/mol
Exact Mass431.13
IUPAC Name4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(-c3ccccn3)n2)ccc1C
InChIInChI=1S/C22H18ClN7O/c1-13-6-7-14(11-18(13)31-2)21-27-22(30(29-21)19-5-3-4-10-24-19)26-17-9-8-16-15(20(17)23)12-25-28-16/h3-12H,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyXMZYKYHECBJDGG-UHFFFAOYSA-N
XLogP4.92
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine 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 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The IUPAC name of 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 167157772) is 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The canonical SMILES for 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(-c3ccccn3)n2)ccc1C.
What is the InChIKey of 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is XMZYKYHECBJDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O/c1-13-6-7-14(11-18(13)31-2)21-27-22(30(29-21)19-5-3-4-10-24-19)26-17-9-8-16-15(20(17)23)12-25-28-16/h3-12H,1-2H3,(H,25,28)(H,26,27,29).
What are the key properties of 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 431.89 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 167157772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).