5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H18ClN7OS — CID 164576092

About 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164576092) has the molecular formula C26H18ClN7OS and a molecular weight of 512.00 g/mol. Its IUPAC name is 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164576092
• Molecular Formula: C26H18ClN7OS
• Molecular Weight: 512.00 g/mol
• Exact Mass: 511.10
• IUPAC Name: 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Nc1nc2c(C(=O)Nc3ccc(Cl)cc3)c(Nc3ccccc3)nn2cc1-c1nc2ccccc2s1
• InChI: InChI=1S/C26H18ClN7OS/c27-15-10-12-17(13-11-15)30-25(35)21-23(29-16-6-2-1-3-7-16)33-34-14-18(22(28)32-24(21)34)26-31-19-8-4-5-9-20(19)36-26/h1-14H,(H2,28,32)(H,29,33)(H,30,35)
• InChIKey: CZAVMZBSMPWJLA-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 110.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.00
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164576092) is 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nc2c(C(=O)Nc3ccc(Cl)cc3)c(Nc3ccccc3)nn2cc1-c1nc2ccccc2s1.

What is the InChIKey of 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is CZAVMZBSMPWJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN7OS/c27-15-10-12-17(13-11-15)30-25(35)21-23(29-16-6-2-1-3-7-16)33-34-14-18(22(28)32-24(21)34)26-31-19-8-4-5-9-20(19)36-26/h1-14H,(H2,28,32)(H,29,33)(H,30,35).

What are the key properties of 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 512.00 g/mol, XLogP of 6.24, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164576092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).