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

C26H18F3N5OS — CID 156760492

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

N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 156760492) has the molecular formula C26H18F3N5OS and a molecular weight of 505.53 g/mol. Its IUPAC name is N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 156760492
• Molecular Formula: C26H18F3N5OS
• Molecular Weight: 505.53 g/mol
• Exact Mass: 505.12
• IUPAC Name: N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
• InChI: InChI=1S/C26H18F3N5OS/c1-15-23(36-25(31-15)32-24(35)17-5-4-6-18(13-17)26(27,28)29)16-8-10-20-21(33-34-22(20)14-16)11-9-19-7-2-3-12-30-19/h2-14H,1H3,(H,33,34)(H,31,32,35)/b11-9+
• InChIKey: FDDPVEVXTJKGHJ-PKNBQFBNSA-N
• XLogP: 6.83
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.53
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 156760492) is N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide.

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

The canonical SMILES for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide is Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.

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

The InChIKey is FDDPVEVXTJKGHJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C26H18F3N5OS/c1-15-23(36-25(31-15)32-24(35)17-5-4-6-18(13-17)26(27,28)29)16-8-10-20-21(33-34-22(20)14-16)11-9-19-7-2-3-12-30-19/h2-14H,1H3,(H,33,34)(H,31,32,35)/b11-9+.

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

N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 505.53 g/mol, XLogP of 6.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 156760492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).