5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

C57H56F5N13O4 — CID 159512693

About 5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine (PubChem CID 159512693) has the molecular formula C57H56F5N13O4 and a molecular weight of 1082.15 g/mol. Its IUPAC name is 5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
• PubChem CID: 159512693
• Molecular Formula: C57H56F5N13O4
• Molecular Weight: 1082.15 g/mol
• Exact Mass: 1081.45
• IUPAC Name: 5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
• SMILES: CN1CCC(O)C(F)(F)CC1.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CCC4(F)F)c23)ccc1Oc1ccn2ccnc2c1
• InChI: InChI=1S/C29H28F2N6O2.C21H15FN6O.C7H13F2NO/c1-19-16-20(6-7-23(19)38-21-8-13-37-15-11-32-26(37)17-21)35-28-27-22(33-18-34-28)4-3-5-24(27)39-25-9-12-36(2)14-10-29(25,30)31;1-13-9-14(27-21-20-16(22)3-2-4-17(20)23-11-25-21)5-6-18(13)29-15-7-8-28-19(10-15)24-12-26-28;1-10-4-2-6(11)7(8,9)3-5-10/h3-8,11,13,15-18,25H,9-10,12,14H2,1-2H3,(H,33,34,35);2-12H,1H3,(H,23,25,27);6,11H,2-5H2,1H3
• InChIKey: MAUKCRZSGFEAEX-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 177.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1082.15
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine (CID 159512693) is 5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine.

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

The canonical SMILES for 5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is CN1CCC(O)C(F)(F)CC1.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CCC4(F)F)c23)ccc1Oc1ccn2ccnc2c1.

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

The InChIKey is MAUKCRZSGFEAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N6O2.C21H15FN6O.C7H13F2NO/c1-19-16-20(6-7-23(19)38-21-8-13-37-15-11-32-26(37)17-21)35-28-27-22(33-18-34-28)4-3-5-24(27)39-25-9-12-36(2)14-10-29(25,30)31;1-13-9-14(27-21-20-16(22)3-2-4-17(20)23-11-25-21)5-6-18(13)29-15-7-8-28-19(10-15)24-12-26-28;1-10-4-2-6(11)7(8,9)3-5-10/h3-8,11,13,15-18,25H,9-10,12,14H2,1-2H3,(H,33,34,35);2-12H,1H3,(H,23,25,27);6,11H,2-5H2,1H3.

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

5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine has a molecular weight of 1082.15 g/mol, XLogP of 11.59, 10 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-difluoro-1-methylazepan-4-ol;5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 159512693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).