2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide

C23H21N5O4S — CID 71461228

IUPAC2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(C4CC4)nc3c2)cn1
InChIInChI=1S/C23H21N5O4S/c1-14-11-25-22(12-24-14)26-23(29)15-9-20-19(13-28(27-20)16-3-4-16)21(10-15)32-17-5-7-18(8-6-17)33(2,30)31/h5-13,16H,3-4H2,1-2H3,(H,25,26,29)
InChIKeyPPRPRSUNPZRDPK-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.92
Rot. Bonds6

About 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide

2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide (PubChem CID 71461228) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
PubChem CID71461228
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC Name2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(C4CC4)nc3c2)cn1
InChIInChI=1S/C23H21N5O4S/c1-14-11-25-22(12-24-14)26-23(29)15-9-20-19(13-28(27-20)16-3-4-16)21(10-15)32-17-5-7-18(8-6-17)33(2,30)31/h5-13,16H,3-4H2,1-2H3,(H,25,26,29)
InChIKeyPPRPRSUNPZRDPK-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide (CID 71461228) is 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(C4CC4)nc3c2)cn1.
What is the InChIKey of 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The InChIKey is PPRPRSUNPZRDPK-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(27-20)16-3-4-16)21(10-15)32-17-5-7-18(8-6-17)33(2,30)31/h5-13,16H,3-4H2,1-2H3,(H,25,26,29).
What are the key properties of 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide is sourced from PubChem (CID 71461228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).