N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide

C33H27N7O2S — CID 52933829

About N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide

N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 52933829) has the molecular formula C33H27N7O2S and a molecular weight of 585.69 g/mol. Its IUPAC name is N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
• PubChem CID: 52933829
• Molecular Formula: C33H27N7O2S
• Molecular Weight: 585.69 g/mol
• Exact Mass: 585.19
• IUPAC Name: N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
• SMILES: CC(=O)N1CCc2cc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6cccs6)c5)nc5ccccn45)n3)ccc21
• InChI: InChI=1S/C33H27N7O2S/c1-21(41)39-16-13-22-18-25(10-11-28(22)39)36-33-34-14-12-27(37-33)32-31(38-29-9-2-3-15-40(29)32)23-6-4-7-24(19-23)35-30(42)20-26-8-5-17-43-26/h2-12,14-15,17-19H,13,16,20H2,1H3,(H,35,42)(H,34,36,37)
• InChIKey: IHFCRHYJDOUIOF-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 104.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.69
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide (CID 52933829) is N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide is CC(=O)N1CCc2cc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6cccs6)c5)nc5ccccn45)n3)ccc21.

What is the InChIKey of N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?

The InChIKey is IHFCRHYJDOUIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N7O2S/c1-21(41)39-16-13-22-18-25(10-11-28(22)39)36-33-34-14-12-27(37-33)32-31(38-29-9-2-3-15-40(29)32)23-6-4-7-24(19-23)35-30(42)20-26-8-5-17-43-26/h2-12,14-15,17-19H,13,16,20H2,1H3,(H,35,42)(H,34,36,37).

What are the key properties of N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?

N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 585.69 g/mol, XLogP of 6.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 52933829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).