5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine

C28H27FN6O2 — CID 146250710

About 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine

5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine (PubChem CID 146250710) has the molecular formula C28H27FN6O2 and a molecular weight of 498.56 g/mol. Its IUPAC name is 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine
• PubChem CID: 146250710
• Molecular Formula: C28H27FN6O2
• Molecular Weight: 498.56 g/mol
• Exact Mass: 498.22
• IUPAC Name: 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine
• SMILES: Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CC4F)c23)ccc1Oc1ccn2ccnc2c1
• InChI: InChI=1S/C28H27FN6O2/c1-18-14-19(6-7-23(18)36-20-8-12-35-13-10-30-26(35)15-20)33-28-27-22(31-17-32-28)4-3-5-25(27)37-24-9-11-34(2)16-21(24)29/h3-8,10,12-15,17,21,24H,9,11,16H2,1-2H3,(H,31,32,33)
• InChIKey: PQHWOPVEQRGKDE-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 76.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.56
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine?

The IUPAC name of 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine (CID 146250710) is 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine.

What is the SMILES notation for 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine?

The canonical SMILES for 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine is Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CC4F)c23)ccc1Oc1ccn2ccnc2c1.

What is the InChIKey of 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine?

The InChIKey is PQHWOPVEQRGKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O2/c1-18-14-19(6-7-23(18)36-20-8-12-35-13-10-30-26(35)15-20)33-28-27-22(31-17-32-28)4-3-5-25(27)37-24-9-11-34(2)16-21(24)29/h3-8,10,12-15,17,21,24H,9,11,16H2,1-2H3,(H,31,32,33).

What are the key properties of 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine?

5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine has a molecular weight of 498.56 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 146250710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).