N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide

C23H20N4OS — CID 55383976

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 55383976) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 55383976
• Molecular Formula: C23H20N4OS
• Molecular Weight: 400.51 g/mol
• Exact Mass: 400.14
• IUPAC Name: N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: Cc1ccn2cc(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)nc2c1
• InChI: InChI=1S/C23H20N4OS/c1-15-8-9-27-14-20(26-22(27)11-15)23(28)25-13-18(21-7-4-10-29-21)17-12-24-19-6-3-2-5-16(17)19/h2-12,14,18,24H,13H2,1H3,(H,25,28)
• InChIKey: QBJFRHFLDYTZCQ-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 62.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.51
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 55383976) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2cc(C(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)nc2c1.

What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is QBJFRHFLDYTZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-15-8-9-27-14-20(26-22(27)11-15)23(28)25-13-18(21-7-4-10-29-21)17-12-24-19-6-3-2-5-16(17)19/h2-12,14,18,24H,13H2,1H3,(H,25,28).

What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 55383976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).