N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide

C26H24N6O4S — CID 11620539

IUPACN-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc(S(N)(=O)=O)cc3)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1
InChIInChI=1S/C26H24N6O4S/c1-15-23(26(33)30-19-7-12-22-18(13-19)14-28-32-22)24(16-5-10-21(11-6-16)37(27,34)35)31-25(29-15)17-3-8-20(36-2)9-4-17/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)
InChIKeySXFFNERBTMUDJT-UHFFFAOYSA-N
MW516.58 g/mol
LogP3.22
Rot. Bonds6

About N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11620539) has the molecular formula C26H24N6O4S and a molecular weight of 516.58 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11620539
Molecular FormulaC26H24N6O4S
Molecular Weight516.58 g/mol
Exact Mass516.16
IUPAC NameN-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc(S(N)(=O)=O)cc3)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1
InChIInChI=1S/C26H24N6O4S/c1-15-23(26(33)30-19-7-12-22-18(13-19)14-28-32-22)24(16-5-10-21(11-6-16)37(27,34)35)31-25(29-15)17-3-8-20(36-2)9-4-17/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)
InChIKeySXFFNERBTMUDJT-UHFFFAOYSA-N
XLogP3.22
TPSA151.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide (CID 11620539) is N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide is COc1ccc(C2=NC(c3ccc(S(N)(=O)=O)cc3)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is SXFFNERBTMUDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4S/c1-15-23(26(33)30-19-7-12-22-18(13-19)14-28-32-22)24(16-5-10-21(11-6-16)37(27,34)35)31-25(29-15)17-3-8-20(36-2)9-4-17/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35).
What are the key properties of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide?
N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 516.58 g/mol, XLogP of 3.22, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11620539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).