4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

C23H21N5O4S — CID 46911021

IUPAC4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)C4CC4)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C23H21N5O4S/c1-14-11-25-22(12-24-14)26-23(29)15-9-20-19(13-28(2)27-20)21(10-15)32-16-3-5-17(6-4-16)33(30,31)18-7-8-18/h3-6,9-13,18H,7-8H2,1-2H3,(H,25,26,29)
InChIKeyQGKMGOARLIHMTI-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.65
Rot. Bonds6

About 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (PubChem CID 46911021) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
PubChem CID46911021
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC Name4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)C4CC4)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C23H21N5O4S/c1-14-11-25-22(12-24-14)26-23(29)15-9-20-19(13-28(2)27-20)21(10-15)32-16-3-5-17(6-4-16)33(30,31)18-7-8-18/h3-6,9-13,18H,7-8H2,1-2H3,(H,25,26,29)
InChIKeyQGKMGOARLIHMTI-UHFFFAOYSA-N
XLogP3.65
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The IUPAC name of 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (CID 46911021) is 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The canonical SMILES for 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)C4CC4)cc3)c3cn(C)nc3c2)cn1.
What is the InChIKey of 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The InChIKey is QGKMGOARLIHMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-14-11-25-22(12-24-14)26-23(29)15-9-20-19(13-28(2)27-20)21(10-15)32-16-3-5-17(6-4-16)33(30,31)18-7-8-18/h3-6,9-13,18H,7-8H2,1-2H3,(H,25,26,29).
What are the key properties of 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylsulfonylphenoxy)-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is sourced from PubChem (CID 46911021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).