N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H21N5OS — CID 19440368

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440368) has the molecular formula C28H21N5OS and a molecular weight of 475.58 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19440368
• Molecular Formula: C28H21N5OS
• Molecular Weight: 475.58 g/mol
• Exact Mass: 475.15
• IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-c2ccnc3c(C(=O)Nc4ccc(-c5nc6ccc(C)cc6s5)cc4)cnn23)cc1
• InChI: InChI=1S/C28H21N5OS/c1-17-3-6-19(7-4-17)24-13-14-29-26-22(16-30-33(24)26)27(34)31-21-10-8-20(9-11-21)28-32-23-12-5-18(2)15-25(23)35-28/h3-16H,1-2H3,(H,31,34)
• InChIKey: SVHSPEZQGHCFGQ-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.58
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440368) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)Nc4ccc(-c5nc6ccc(C)cc6s5)cc4)cnn23)cc1.

What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SVHSPEZQGHCFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5OS/c1-17-3-6-19(7-4-17)24-13-14-29-26-22(16-30-33(24)26)27(34)31-21-10-8-20(9-11-21)28-32-23-12-5-18(2)15-25(23)35-28/h3-16H,1-2H3,(H,31,34).

What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).