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

C27H25N5O4S — CID 11605996

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

N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11605996) has the molecular formula C27H25N5O4S and a molecular weight of 515.60 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide
• PubChem CID: 11605996
• Molecular Formula: C27H25N5O4S
• Molecular Weight: 515.60 g/mol
• Exact Mass: 515.16
• IUPAC Name: N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide
• SMILES: COc1ccc(C2=NC(c3ccc(S(C)(=O)=O)cc3)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1
• InChI: InChI=1S/C27H25N5O4S/c1-16-24(27(33)30-20-8-13-23-19(14-20)15-28-32-23)25(17-6-11-22(12-7-17)37(3,34)35)31-26(29-16)18-4-9-21(36-2)10-5-18/h4-15,25H,1-3H3,(H,28,32)(H,29,31)(H,30,33)
• InChIKey: FFUSGSSPPHCGPY-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 125.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.60
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide?

The IUPAC name of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide (CID 11605996) is N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide.

What is the SMILES notation for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide?

The canonical SMILES for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide is COc1ccc(C2=NC(c3ccc(S(C)(=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-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide?

The InChIKey is FFUSGSSPPHCGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4S/c1-16-24(27(33)30-20-8-13-23-19(14-20)15-28-32-23)25(17-6-11-22(12-7-17)37(3,34)35)31-26(29-16)18-4-9-21(36-2)10-5-18/h4-15,25H,1-3H3,(H,28,32)(H,29,31)(H,30,33).

What are the key properties of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide?

N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 515.60 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 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-methylsulfonylphenyl)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11605996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).