N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide

C25H26N6OS — CID 166728483

About N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide

N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide (PubChem CID 166728483) has the molecular formula C25H26N6OS and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide
• PubChem CID: 166728483
• Molecular Formula: C25H26N6OS
• Molecular Weight: 458.59 g/mol
• Exact Mass: 458.19
• IUPAC Name: N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide
• SMILES: Cc1nc(NC(=O)CC2CCCNC2)sc1-c1ccc2c(C=Cc3ccccn3)n[nH]c2c1
• InChI: InChI=1S/C25H26N6OS/c1-16-24(33-25(28-16)29-23(32)13-17-5-4-11-26-15-17)18-7-9-20-21(30-31-22(20)14-18)10-8-19-6-2-3-12-27-19/h2-3,6-10,12,14,17,26H,4-5,11,13,15H2,1H3,(H,30,31)(H,28,29,32)
• InChIKey: XIGBNXDFPWNTCP-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.59
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide?

The IUPAC name of N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide (CID 166728483) is N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide.

What is the SMILES notation for N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide?

The canonical SMILES for N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide is Cc1nc(NC(=O)CC2CCCNC2)sc1-c1ccc2c(C=Cc3ccccn3)n[nH]c2c1.

What is the InChIKey of N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide?

The InChIKey is XIGBNXDFPWNTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6OS/c1-16-24(33-25(28-16)29-23(32)13-17-5-4-11-26-15-17)18-7-9-20-21(30-31-22(20)14-18)10-8-19-6-2-3-12-27-19/h2-3,6-10,12,14,17,26H,4-5,11,13,15H2,1H3,(H,30,31)(H,28,29,32).

What are the key properties of N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide?

N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide has a molecular weight of 458.59 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide is sourced from PubChem (CID 166728483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).