N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide

C29H32N4O2S — CID 69001985

About N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide

N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 69001985) has the molecular formula C29H32N4O2S and a molecular weight of 500.67 g/mol. Its IUPAC name is N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
• PubChem CID: 69001985
• Molecular Formula: C29H32N4O2S
• Molecular Weight: 500.67 g/mol
• Exact Mass: 500.22
• IUPAC Name: N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)Nc1cc(CN2CCC(CCO)CC2)ccc1C=Cc1n[nH]c2ccccc12
• InChI: InChI=1S/C29H32N4O2S/c1-20-13-17-36-28(20)29(35)30-27-18-22(19-33-14-10-21(11-15-33)12-16-34)6-7-23(27)8-9-26-24-4-2-3-5-25(24)31-32-26/h2-9,13,17-18,21,34H,10-12,14-16,19H2,1H3,(H,30,35)(H,31,32)
• InChIKey: DCEAOIXHQDJRHU-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 81.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.67
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide?

The IUPAC name of N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide (CID 69001985) is N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide?

The canonical SMILES for N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(CN2CCC(CCO)CC2)ccc1C=Cc1n[nH]c2ccccc12.

What is the InChIKey of N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide?

The InChIKey is DCEAOIXHQDJRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2S/c1-20-13-17-36-28(20)29(35)30-27-18-22(19-33-14-10-21(11-15-33)12-16-34)6-7-23(27)8-9-26-24-4-2-3-5-25(24)31-32-26/h2-9,13,17-18,21,34H,10-12,14-16,19H2,1H3,(H,30,35)(H,31,32).

What are the key properties of N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide?

N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 500.67 g/mol, XLogP of 5.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 69001985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).