N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C28H30F2N8O2 — CID 155587559

About N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 155587559) has the molecular formula C28H30F2N8O2 and a molecular weight of 548.60 g/mol. Its IUPAC name is N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
• PubChem CID: 155587559
• Molecular Formula: C28H30F2N8O2
• Molecular Weight: 548.60 g/mol
• Exact Mass: 548.25
• IUPAC Name: N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
• SMILES: C/N=C/C(=C\N)c1ccc(CNc2cc(-c3cnc4cc(OCCN5CCOC(F)(F)C5)ccn34)ncn2)cc1
• InChI: InChI=1S/C28H30F2N8O2/c1-32-16-22(14-31)21-4-2-20(3-5-21)15-33-26-13-24(35-19-36-26)25-17-34-27-12-23(6-7-38(25)27)39-10-8-37-9-11-40-28(29,30)18-37/h2-7,12-14,16-17,19H,8-11,15,18,31H2,1H3,(H,33,35,36)/b22-14+,32-16+
• InChIKey: FEVXZHISQZTNDE-OGWZALEESA-N
• XLogP: 3.71
• TPSA: 115.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.60
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

The IUPAC name of N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 155587559) is N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

What is the SMILES notation for N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

The canonical SMILES for N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is C/N=C/C(=C\N)c1ccc(CNc2cc(-c3cnc4cc(OCCN5CCOC(F)(F)C5)ccn34)ncn2)cc1.

What is the InChIKey of N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

The InChIKey is FEVXZHISQZTNDE-OGWZALEESA-N. The full InChI is InChI=1S/C28H30F2N8O2/c1-32-16-22(14-31)21-4-2-20(3-5-21)15-33-26-13-24(35-19-36-26)25-17-34-27-12-23(6-7-38(25)27)39-10-8-37-9-11-40-28(29,30)18-37/h2-7,12-14,16-17,19H,8-11,15,18,31H2,1H3,(H,33,35,36)/b22-14+,32-16+.

What are the key properties of N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?

N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 548.60 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(2,2-difluoromorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 155587559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).