2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide

C29H24N4O2S — CID 172560811

About 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide

2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide (PubChem CID 172560811) has the molecular formula C29H24N4O2S and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide
• PubChem CID: 172560811
• Molecular Formula: C29H24N4O2S
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.16
• IUPAC Name: 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide
• SMILES: COc1ccccc1CC(=O)Nc1cccc(Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
• InChI: InChI=1S/C29H24N4O2S/c1-35-28-11-3-2-7-20(28)17-29(34)31-22-9-6-10-23(18-22)36-24-13-14-25-26(32-33-27(25)19-24)15-12-21-8-4-5-16-30-21/h2-16,18-19H,17H2,1H3,(H,31,34)(H,32,33)/b15-12+
• InChIKey: YRBIIKFLHKMFCI-NTCAYCPXSA-N
• XLogP: 6.47
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide?

The IUPAC name of 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide (CID 172560811) is 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide.

What is the SMILES notation for 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide?

The canonical SMILES for 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide is COc1ccccc1CC(=O)Nc1cccc(Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.

What is the InChIKey of 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide?

The InChIKey is YRBIIKFLHKMFCI-NTCAYCPXSA-N. The full InChI is InChI=1S/C29H24N4O2S/c1-35-28-11-3-2-7-20(28)17-29(34)31-22-9-6-10-23(18-22)36-24-13-14-25-26(32-33-27(25)19-24)15-12-21-8-4-5-16-30-21/h2-16,18-19H,17H2,1H3,(H,31,34)(H,32,33)/b15-12+.

What are the key properties of 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide?

2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide has a molecular weight of 492.60 g/mol, XLogP of 6.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyphenyl)-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide is sourced from PubChem (CID 172560811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).