1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde

C131H165F7N32O15 — CID 164996258

About 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde

1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde (PubChem CID 164996258) has the molecular formula C131H165F7N32O15 and a molecular weight of 2560.96 g/mol. Its IUPAC name is 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde
• PubChem CID: 164996258
• Molecular Formula: C131H165F7N32O15
• Molecular Weight: 2560.96 g/mol
• Exact Mass: 2559.30
• IUPAC Name: 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde
• SMILES: C.COc1cc2nc(N)n3nc(C4CCC(C)N(c5cn(CC6(O)CCC6)nc5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc(C4CCC(C)N(c5cnn(CC6(O)CCC6)c5C)C4)nc3c2cc1F.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CCC(C)N(c5cn(CC6(OC7CCCCO7)CCC6)nc5C)C4)nn23)c(OC)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CCC(C)N(c5cn(CC6(OC7CCCCO7)CCC6)nc5C)C4)nn23)c(OC)c1.O=CC(F)(F)F
• InChI: InChI=1S/2C39H49FN8O5.2C25H31FN8O2.C2HF3O.CH4/c2*1-24-10-11-27(21-47(24)32-22-46(44-25(32)2)23-39(14-8-15-39)53-35-9-6-7-16-52-35)36-43-37-29-18-30(40)34(51-5)19-31(29)42-38(48(37)45-36)41-20-26-12-13-28(49-3)17-33(26)50-4;1-14-5-6-16(12-32(14)20-11-28-33(15(20)2)13-25(35)7-4-8-25)22-30-23-17-9-18(26)21(36-3)10-19(17)29-24(27)34(23)31-22;1-14-5-6-16(11-33(14)20-12-32(30-15(20)2)13-25(35)7-4-8-25)22-29-23-17-9-18(26)21(36-3)10-19(17)28-24(27)34(23)31-22;3-2(4,5)1-6;/h2*12-13,17-19,22,24,27,35H,6-11,14-16,20-21,23H2,1-5H3,(H,41,42);9-11,14,16,35H,4-8,12-13H2,1-3H3,(H2,27,29);9-10,12,14,16,35H,4-8,11,13H2,1-3H3,(H2,27,28);1H;1H4
• InChIKey: HPFUGFNEYKAPKO-UHFFFAOYSA-N
• XLogP: 21.38
• TPSA: 500.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 34
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2560.96
LogP ≤ 5	21.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde (CID 164996258) is 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde is C.COc1cc2nc(N)n3nc(C4CCC(C)N(c5cn(CC6(O)CCC6)nc5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc(C4CCC(C)N(c5cnn(CC6(O)CCC6)c5C)C4)nc3c2cc1F.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CCC(C)N(c5cn(CC6(OC7CCCCO7)CCC6)nc5C)C4)nn23)c(OC)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CCC(C)N(c5cn(CC6(OC7CCCCO7)CCC6)nc5C)C4)nn23)c(OC)c1.O=CC(F)(F)F.

What is the InChIKey of 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde?

The InChIKey is HPFUGFNEYKAPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H49FN8O5.2C25H31FN8O2.C2HF3O.CH4/c2*1-24-10-11-27(21-47(24)32-22-46(44-25(32)2)23-39(14-8-15-39)53-35-9-6-7-16-52-35)36-43-37-29-18-30(40)34(51-5)19-31(29)42-38(48(37)45-36)41-20-26-12-13-28(49-3)17-33(26)50-4;1-14-5-6-16(12-32(14)20-11-28-33(15(20)2)13-25(35)7-4-8-25)22-30-23-17-9-18(26)21(36-3)10-19(17)29-24(27)34(23)31-22;1-14-5-6-16(11-33(14)20-12-32(30-15(20)2)13-25(35)7-4-8-25)22-29-23-17-9-18(26)21(36-3)10-19(17)28-24(27)34(23)31-22;3-2(4,5)1-6;/h2*12-13,17-19,22,24,27,35H,6-11,14-16,20-21,23H2,1-5H3,(H,41,42);9-11,14,16,35H,4-8,12-13H2,1-3H3,(H2,27,29);9-10,12,14,16,35H,4-8,11,13H2,1-3H3,(H2,27,28);1H;1H4.

What are the key properties of 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde?

1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde has a molecular weight of 2560.96 g/mol, XLogP of 21.38, 34 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-5-methylpyrazol-1-yl]methyl]cyclobutan-1-ol;bis(N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[6-methyl-1-[3-methyl-1-[[1-(oxan-2-yloxy)cyclobutyl]methyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine);methane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 164996258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).