1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide

C15H13ClN4O3S — CID 88593581

IUPAC1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)nc2)c2ccc(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C15H13ClN4O3S/c1-9-12-7-10(15(21)19-24(2,22)23)3-5-13(12)20(18-9)11-4-6-14(16)17-8-11/h3-8H,1-2H3,(H,19,21)
InChIKeyOFPBKWXZJCTHNF-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.07
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide

1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide (PubChem CID 88593581) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide
PubChem CID88593581
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)nc2)c2ccc(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C15H13ClN4O3S/c1-9-12-7-10(15(21)19-24(2,22)23)3-5-13(12)20(18-9)11-4-6-14(16)17-8-11/h3-8H,1-2H3,(H,19,21)
InChIKeyOFPBKWXZJCTHNF-UHFFFAOYSA-N
XLogP2.07
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide (CID 88593581) is 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide is Cc1nn(-c2ccc(Cl)nc2)c2ccc(C(=O)NS(C)(=O)=O)cc12.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide?
The InChIKey is OFPBKWXZJCTHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-9-12-7-10(15(21)19-24(2,22)23)3-5-13(12)20(18-9)11-4-6-14(16)17-8-11/h3-8H,1-2H3,(H,19,21).
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide?
1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide has a molecular weight of 364.81 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide is sourced from PubChem (CID 88593581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).