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

C28H25F3N6O2 — CID 155482989

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

5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine (PubChem CID 155482989) has the molecular formula C28H25F3N6O2 and a molecular weight of 534.54 g/mol. Its IUPAC name is 5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine
• PubChem CID: 155482989
• Molecular Formula: C28H25F3N6O2
• Molecular Weight: 534.54 g/mol
• Exact Mass: 534.20
• IUPAC Name: 5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine
• SMILES: Cc1cc(Nc2ncnc3cc(F)cc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ccnc2c1
• InChI: InChI=1S/C28H25F3N6O2/c1-17-11-19(3-4-22(17)38-20-5-9-37-10-7-32-25(37)14-20)35-27-26-21(33-16-34-27)12-18(29)13-23(26)39-24-6-8-36(2)15-28(24,30)31/h3-5,7,9-14,16,24H,6,8,15H2,1-2H3,(H,33,34,35)
• InChIKey: IQTFHGUXBKYVNJ-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 76.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.54
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine (CID 155482989) is 5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine.

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

The canonical SMILES for 5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine is Cc1cc(Nc2ncnc3cc(F)cc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ccnc2c1.

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

The InChIKey is IQTFHGUXBKYVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N6O2/c1-17-11-19(3-4-22(17)38-20-5-9-37-10-7-32-25(37)14-20)35-27-26-21(33-16-34-27)12-18(29)13-23(26)39-24-6-8-36(2)15-28(24,30)31/h3-5,7,9-14,16,24H,6,8,15H2,1-2H3,(H,33,34,35).

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

5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine has a molecular weight of 534.54 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 155482989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).