2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide

C17H13ClN4O — CID 135754590

IUPAC2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide
SMILESCNC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2c1
InChIInChI=1S/C17H13ClN4O/c1-19-17(23)9-2-5-13-10(6-9)7-15(20-13)16-12-4-3-11(18)8-14(12)21-22-16/h2-8,20H,1H3,(H,19,23)(H,21,22)
InChIKeySONFIQPIMORWNG-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.72
Rot. Bonds2

About 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide

2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide (PubChem CID 135754590) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide
PubChem CID135754590
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide
SMILESCNC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2c1
InChIInChI=1S/C17H13ClN4O/c1-19-17(23)9-2-5-13-10(6-9)7-15(20-13)16-12-4-3-11(18)8-14(12)21-22-16/h2-8,20H,1H3,(H,19,23)(H,21,22)
InChIKeySONFIQPIMORWNG-UHFFFAOYSA-N
XLogP3.72
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide?
The IUPAC name of 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide (CID 135754590) is 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide?
The canonical SMILES for 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide is CNC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2c1.
What is the InChIKey of 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide?
The InChIKey is SONFIQPIMORWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-19-17(23)9-2-5-13-10(6-9)7-15(20-13)16-12-4-3-11(18)8-14(12)21-22-16/h2-8,20H,1H3,(H,19,23)(H,21,22).
What are the key properties of 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide?
2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 3.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide is sourced from PubChem (CID 135754590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).