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

C22H18ClN7O — CID 166883929

IUPAC4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(-c3ccncc3)n2)ccc1C
InChIInChI=1S/C22H18ClN7O/c1-13-3-4-14(11-19(13)31-2)21-27-22(30(29-21)15-7-9-24-10-8-15)26-18-6-5-17-16(20(18)23)12-25-28-17/h3-12H,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyYPRAGLYJCCVMLU-UHFFFAOYSA-N
MW431.89 g/mol
LogP4.92
Rot. Bonds5

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

4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 166883929) 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-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID166883929
Molecular FormulaC22H18ClN7O
Molecular Weight431.89 g/mol
Exact Mass431.13
IUPAC Name4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(-c3ccncc3)n2)ccc1C
InChIInChI=1S/C22H18ClN7O/c1-13-3-4-14(11-19(13)31-2)21-27-22(30(29-21)15-7-9-24-10-8-15)26-18-6-5-17-16(20(18)23)12-25-28-17/h3-12H,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyYPRAGLYJCCVMLU-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-4-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-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 166883929) is 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-4-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-4-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-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(-c3ccncc3)n2)ccc1C.
What is the InChIKey of 4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is YPRAGLYJCCVMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O/c1-13-3-4-14(11-19(13)31-2)21-27-22(30(29-21)15-7-9-24-10-8-15)26-18-6-5-17-16(20(18)23)12-25-28-17/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-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
4-chloro-N-[5-(3-methoxy-4-methylphenyl)-2-pyridin-4-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-4-yl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 166883929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).