5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

C23H18N6O2S — CID 138747879

About 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 138747879) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
• PubChem CID: 138747879
• Molecular Formula: C23H18N6O2S
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.12
• IUPAC Name: 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
• SMILES: COc1cc(NC(=O)c2cc(-c3ccc4ncsc4c3)n(-c3cccc(C)n3)n2)ccn1
• InChI: InChI=1S/C23H18N6O2S/c1-14-4-3-5-21(26-14)29-19(15-6-7-17-20(10-15)32-13-25-17)12-18(28-29)23(30)27-16-8-9-24-22(11-16)31-2/h3-13H,1-2H3,(H,24,27,30)
• InChIKey: OFODECUVHFXRIH-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?

The IUPAC name of 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 138747879) is 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.

What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?

The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is COc1cc(NC(=O)c2cc(-c3ccc4ncsc4c3)n(-c3cccc(C)n3)n2)ccn1.

What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?

The InChIKey is OFODECUVHFXRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c1-14-4-3-5-21(26-14)29-19(15-6-7-17-20(10-15)32-13-25-17)12-18(28-29)23(30)27-16-8-9-24-22(11-16)31-2/h3-13H,1-2H3,(H,24,27,30).

What are the key properties of 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?

5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138747879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).