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

C23H23N5O4S — CID 71459489

IUPACN-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide
SMILESCCCn1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3cnc(C)cn3)cc2n1
InChIInChI=1S/C23H23N5O4S/c1-4-9-28-14-19-20(27-28)10-16(23(29)26-22-13-24-15(2)12-25-22)11-21(19)32-17-5-7-18(8-6-17)33(3,30)31/h5-8,10-14H,4,9H2,1-3H3,(H,25,26,29)
InChIKeySRIGNYPFWLBBRM-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.99
Rot. Bonds7

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

N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide (PubChem CID 71459489) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide
PubChem CID71459489
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide
SMILESCCCn1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3cnc(C)cn3)cc2n1
InChIInChI=1S/C23H23N5O4S/c1-4-9-28-14-19-20(27-28)10-16(23(29)26-22-13-24-15(2)12-25-22)11-21(19)32-17-5-7-18(8-6-17)33(3,30)31/h5-8,10-14H,4,9H2,1-3H3,(H,25,26,29)
InChIKeySRIGNYPFWLBBRM-UHFFFAOYSA-N
XLogP3.99
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide?
The IUPAC name of N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide (CID 71459489) is N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide.
What is the SMILES notation for N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide?
The canonical SMILES for N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide is CCCn1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3cnc(C)cn3)cc2n1.
What is the InChIKey of N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide?
The InChIKey is SRIGNYPFWLBBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-4-9-28-14-19-20(27-28)10-16(23(29)26-22-13-24-15(2)12-25-22)11-21(19)32-17-5-7-18(8-6-17)33(3,30)31/h5-8,10-14H,4,9H2,1-3H3,(H,25,26,29).
What are the key properties of N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide?
N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-2-propylindazole-6-carboxamide is sourced from PubChem (CID 71459489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).