1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide

C26H28N6OS — CID 24586614

About 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide

1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 24586614) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide
• PubChem CID: 24586614
• Molecular Formula: C26H28N6OS
• Molecular Weight: 472.62 g/mol
• Exact Mass: 472.20
• IUPAC Name: 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide
• SMILES: CC1CCCN(Cc2csc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)n2)C1
• InChI: InChI=1S/C26H28N6OS/c1-19-7-6-12-31(14-19)16-22-18-34-26(28-22)29-25(33)23-17-32(15-20-8-3-2-4-9-20)30-24(23)21-10-5-11-27-13-21/h2-5,8-11,13,17-19H,6-7,12,14-16H2,1H3,(H,28,29,33)
• InChIKey: CJEAILDZLZWNJL-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.62
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide?

The IUPAC name of 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide (CID 24586614) is 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide.

What is the SMILES notation for 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide?

The canonical SMILES for 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide is CC1CCCN(Cc2csc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)n2)C1.

What is the InChIKey of 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide?

The InChIKey is CJEAILDZLZWNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-19-7-6-12-31(14-19)16-22-18-34-26(28-22)29-25(33)23-17-32(15-20-8-3-2-4-9-20)30-24(23)21-10-5-11-27-13-21/h2-5,8-11,13,17-19H,6-7,12,14-16H2,1H3,(H,28,29,33).

What are the key properties of 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide?

1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 472.62 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 24586614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).