4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine

C32H33FN6O — CID 75027134

About 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine

4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 75027134) has the molecular formula C32H33FN6O and a molecular weight of 536.66 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine
• PubChem CID: 75027134
• Molecular Formula: C32H33FN6O
• Molecular Weight: 536.66 g/mol
• Exact Mass: 536.27
• IUPAC Name: 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine
• SMILES: CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CC4CCCO4)ccn23)n1)c1ccccc1
• InChI: InChI=1S/C32H33FN6O/c1-22(24-7-4-3-5-8-24)35-32-34-16-14-28(36-32)31-30(25-10-12-26(33)13-11-25)37-29-19-23(15-17-39(29)31)20-38(2)21-27-9-6-18-40-27/h3-5,7-8,10-17,19,22,27H,6,9,18,20-21H2,1-2H3,(H,34,35,36)
• InChIKey: GTWJLVCVJTUVNI-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 67.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.66
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine?

The IUPAC name of 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine (CID 75027134) is 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine.

What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine?

The canonical SMILES for 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine is CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CC4CCCO4)ccn23)n1)c1ccccc1.

What is the InChIKey of 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine?

The InChIKey is GTWJLVCVJTUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O/c1-22(24-7-4-3-5-8-24)35-32-34-16-14-28(36-32)31-30(25-10-12-26(33)13-11-25)37-29-19-23(15-17-39(29)31)20-38(2)21-27-9-6-18-40-27/h3-5,7-8,10-17,19,22,27H,6,9,18,20-21H2,1-2H3,(H,34,35,36).

What are the key properties of 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine?

4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 536.66 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 75027134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).