1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol

C101H125Br2F3N26O16S3 — CID 159818197

About 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol

1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 159818197) has the molecular formula C101H125Br2F3N26O16S3 and a molecular weight of 2272.28 g/mol. Its IUPAC name is 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol
• PubChem CID: 159818197
• Molecular Formula: C101H125Br2F3N26O16S3
• Molecular Weight: 2272.28 g/mol
• Exact Mass: 2268.72
• IUPAC Name: 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol
• SMILES: COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CN(c5cn(CC(C)(C)O)nc5C)CCS4(=O)=O)nn23)c(C)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CN(c5cnn(CC(C)(C)O)c5C)CCS4(=O)=O)nn23)c(C)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CNCCS4(=O)=O)nn23)c(C)c1.Cc1c(Br)cnn1CC(C)(C)O.Cc1nn(CC(C)(C)O)cc1Br
• InChI: InChI=1S/2C31H37FN8O5S.C23H25FN6O4S.2C8H13BrN2O/c1-18-11-21(44-5)8-7-20(18)14-33-30-34-24-13-26(45-6)23(32)12-22(24)29-35-28(37-40(29)30)27-16-38(9-10-46(27,42)43)25-15-39(36-19(25)2)17-31(3,4)41;1-18-11-21(44-5)8-7-20(18)14-33-30-35-24-13-26(45-6)23(32)12-22(24)29-36-28(37-40(29)30)27-16-38(9-10-46(27,42)43)25-15-34-39(19(25)2)17-31(3,4)41;1-13-8-15(33-2)5-4-14(13)11-26-23-27-18-10-19(34-3)17(24)9-16(18)22-28-21(29-30(22)23)20-12-25-6-7-35(20,31)32;1-6-7(9)4-11(10-6)5-8(2,3)12;1-6-7(9)4-10-11(6)5-8(2,3)12/h7-8,11-13,15,27,41H,9-10,14,16-17H2,1-6H3,(H,33,34);7-8,11-13,15,27,41H,9-10,14,16-17H2,1-6H3,(H,33,35);4-5,8-10,20,25H,6-7,11-12H2,1-3H3,(H,26,27);2*4,12H,5H2,1-3H3
• InChIKey: NLWTVUGWTXRNSJ-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 493.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 28
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2272.28
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol (CID 159818197) is 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol is COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CN(c5cn(CC(C)(C)O)nc5C)CCS4(=O)=O)nn23)c(C)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CN(c5cnn(CC(C)(C)O)c5C)CCS4(=O)=O)nn23)c(C)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc(C4CNCCS4(=O)=O)nn23)c(C)c1.Cc1c(Br)cnn1CC(C)(C)O.Cc1nn(CC(C)(C)O)cc1Br.

What is the InChIKey of 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol?

The InChIKey is NLWTVUGWTXRNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H37FN8O5S.C23H25FN6O4S.2C8H13BrN2O/c1-18-11-21(44-5)8-7-20(18)14-33-30-34-24-13-26(45-6)23(32)12-22(24)29-35-28(37-40(29)30)27-16-38(9-10-46(27,42)43)25-15-39(36-19(25)2)17-31(3,4)41;1-18-11-21(44-5)8-7-20(18)14-33-30-35-24-13-26(45-6)23(32)12-22(24)29-36-28(37-40(29)30)27-16-38(9-10-46(27,42)43)25-15-34-39(19(25)2)17-31(3,4)41;1-13-8-15(33-2)5-4-14(13)11-26-23-27-18-10-19(34-3)17(24)9-16(18)22-28-21(29-30(22)23)20-12-25-6-7-35(20,31)32;1-6-7(9)4-11(10-6)5-8(2,3)12;1-6-7(9)4-10-11(6)5-8(2,3)12/h7-8,11-13,15,27,41H,9-10,14,16-17H2,1-6H3,(H,33,34);7-8,11-13,15,27,41H,9-10,14,16-17H2,1-6H3,(H,33,35);4-5,8-10,20,25H,6-7,11-12H2,1-3H3,(H,26,27);2*4,12H,5H2,1-3H3.

What are the key properties of 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol?

1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 2272.28 g/mol, XLogP of 13.08, 28 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromo-3-methylpyrazol-1-yl)-2-methylpropan-2-ol;1-(4-bromo-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;2-(1,1-dioxo-1,4-thiazinan-2-yl)-9-fluoro-8-methoxy-N-[(4-methoxy-2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[2-[9-fluoro-8-methoxy-5-[(4-methoxy-2-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 159818197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).