5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide

C24H24N4O2S — CID 163812412

About 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide

5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide (PubChem CID 163812412) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide
• PubChem CID: 163812412
• Molecular Formula: C24H24N4O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.16
• IUPAC Name: 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide
• SMILES: [H]/N=C(\c1cc2ccc(NC(=O)c3cc4cc(O)ccc4[nH]3)cn2c1)C(C)(C)C1CCS1
• InChI: InChI=1S/C24H24N4O2S/c1-24(2,21-7-8-31-21)22(25)15-9-17-4-3-16(13-28(17)12-15)26-23(30)20-11-14-10-18(29)5-6-19(14)27-20/h3-6,9-13,21,25,27,29H,7-8H2,1-2H3,(H,26,30)/b25-22+
• InChIKey: NOKVQRGPMREYSF-YYDJUVGSSA-N
• XLogP: 5.28
• TPSA: 93.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide?

The IUPAC name of 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide (CID 163812412) is 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide is [H]/N=C(\c1cc2ccc(NC(=O)c3cc4cc(O)ccc4[nH]3)cn2c1)C(C)(C)C1CCS1.

What is the InChIKey of 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide?

The InChIKey is NOKVQRGPMREYSF-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-24(2,21-7-8-31-21)22(25)15-9-17-4-3-16(13-28(17)12-15)26-23(30)20-11-14-10-18(29)5-6-19(14)27-20/h3-6,9-13,21,25,27,29H,7-8H2,1-2H3,(H,26,30)/b25-22+.

What are the key properties of 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide?

5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-N-[2-[2-methyl-2-(thietan-2-yl)propanimidoyl]indolizin-6-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 163812412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).