3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide

C18H19ClN4O4S — CID 155526133

IUPAC3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide
SMILESCC(C)COc1ncc(-c2n[nH]c3cc(C(=O)NS(C)(=O)=O)ccc23)cc1Cl
InChIInChI=1S/C18H19ClN4O4S/c1-10(2)9-27-18-14(19)6-12(8-20-18)16-13-5-4-11(7-15(13)21-22-16)17(24)23-28(3,25)26/h4-8,10H,9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyHAEWEALGZATAAG-UHFFFAOYSA-N
MW422.89 g/mol
LogP3.00
Rot. Bonds6

About 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide

3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide (PubChem CID 155526133) has the molecular formula C18H19ClN4O4S and a molecular weight of 422.89 g/mol. Its IUPAC name is 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide
PubChem CID155526133
Molecular FormulaC18H19ClN4O4S
Molecular Weight422.89 g/mol
Exact Mass422.08
IUPAC Name3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide
SMILESCC(C)COc1ncc(-c2n[nH]c3cc(C(=O)NS(C)(=O)=O)ccc23)cc1Cl
InChIInChI=1S/C18H19ClN4O4S/c1-10(2)9-27-18-14(19)6-12(8-20-18)16-13-5-4-11(7-15(13)21-22-16)17(24)23-28(3,25)26/h4-8,10H,9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyHAEWEALGZATAAG-UHFFFAOYSA-N
XLogP3.00
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide?
The IUPAC name of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide (CID 155526133) is 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide.
What is the SMILES notation for 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide?
The canonical SMILES for 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide is CC(C)COc1ncc(-c2n[nH]c3cc(C(=O)NS(C)(=O)=O)ccc23)cc1Cl.
What is the InChIKey of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide?
The InChIKey is HAEWEALGZATAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4S/c1-10(2)9-27-18-14(19)6-12(8-20-18)16-13-5-4-11(7-15(13)21-22-16)17(24)23-28(3,25)26/h4-8,10H,9H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide?
3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide is sourced from PubChem (CID 155526133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).