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

C35H29N7O2 — CID 52933828

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-phenylacetamide

N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-phenylacetamide (PubChem CID 52933828) has the molecular formula C35H29N7O2 and a molecular weight of 579.66 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-phenylacetamide.

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-phenylacetamide
• PubChem CID: 52933828
• Molecular Formula: C35H29N7O2
• Molecular Weight: 579.66 g/mol
• Exact Mass: 579.24
• 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-phenylacetamide
• SMILES: CC(=O)N1CCc2cc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)c5)nc5ccccn45)n3)ccc21
• InChI: InChI=1S/C35H29N7O2/c1-23(43)41-19-16-25-21-28(13-14-30(25)41)38-35-36-17-15-29(39-35)34-33(40-31-12-5-6-18-42(31)34)26-10-7-11-27(22-26)37-32(44)20-24-8-3-2-4-9-24/h2-15,17-18,21-22H,16,19-20H2,1H3,(H,37,44)(H,36,38,39)
• InChIKey: SZJHYZQVYVASEH-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 104.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.66
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-phenylacetamide?

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-phenylacetamide (CID 52933828) 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-phenylacetamide.

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-phenylacetamide?

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-phenylacetamide is CC(=O)N1CCc2cc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)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-phenylacetamide?

The InChIKey is SZJHYZQVYVASEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N7O2/c1-23(43)41-19-16-25-21-28(13-14-30(25)41)38-35-36-17-15-29(39-35)34-33(40-31-12-5-6-18-42(31)34)26-10-7-11-27(22-26)37-32(44)20-24-8-3-2-4-9-24/h2-15,17-18,21-22H,16,19-20H2,1H3,(H,37,44)(H,36,38,39).

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-phenylacetamide?

N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 579.66 g/mol, XLogP of 6.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-phenylacetamide is sourced from PubChem (CID 52933828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).