1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol

C85H99F4N29O10S — CID 158118859

About 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol

1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol (PubChem CID 158118859) has the molecular formula C85H99F4N29O10S and a molecular weight of 1794.98 g/mol. Its IUPAC name is 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
• PubChem CID: 158118859
• Molecular Formula: C85H99F4N29O10S
• Molecular Weight: 1794.98 g/mol
• Exact Mass: 1793.78
• IUPAC Name: 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
• SMILES: CCn1cc([C@@]2(O)CCC[C@H](c3nc4c5cc(F)c(OC)cc5nc(N)n4n3)C2)cn1.CCn1cc([C@]2(O)CCC[C@@H](c3nc4c5cc(F)c(OC)cc5nc(N)n4n3)C2)cn1.CCn1cc([C@]2(O)CCC[C@H](c3nc4c5cc(F)c(OC)cc5nc(N)n4n3)C2)cn1.COc1cc2nc(N)n3nc([C@H]4CN(c5cnn(CC(C)(C)O)c5C)CCS4(=O)=O)nc3c2cc1F
• InChI: InChI=1S/C22H27FN8O4S.3C21H24FN7O2/c1-12-16(9-25-30(12)11-22(2,3)32)29-5-6-36(33,34)18(10-29)19-27-20-13-7-14(23)17(35-4)8-15(13)26-21(24)31(20)28-19;3*1-3-28-11-13(10-24-28)21(30)6-4-5-12(9-21)18-26-19-14-7-15(22)17(31-2)8-16(14)25-20(23)29(19)27-18/h7-9,18,32H,5-6,10-11H2,1-4H3,(H2,24,26);3*7-8,10-12,30H,3-6,9H2,1-2H3,(H2,23,25)/t18-;2*12-,21+;12-,21-/m1100/s1
• InChIKey: FRIYEXWETWOBSI-KAODPVEKSA-N
• XLogP: 9.57
• TPSA: 502.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1794.98
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol?

The IUPAC name of 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol (CID 158118859) is 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol.

What is the SMILES notation for 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol?

The canonical SMILES for 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol is CCn1cc([C@@]2(O)CCC[C@H](c3nc4c5cc(F)c(OC)cc5nc(N)n4n3)C2)cn1.CCn1cc([C@]2(O)CCC[C@@H](c3nc4c5cc(F)c(OC)cc5nc(N)n4n3)C2)cn1.CCn1cc([C@]2(O)CCC[C@H](c3nc4c5cc(F)c(OC)cc5nc(N)n4n3)C2)cn1.COc1cc2nc(N)n3nc([C@H]4CN(c5cnn(CC(C)(C)O)c5C)CCS4(=O)=O)nc3c2cc1F.

What is the InChIKey of 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol?

The InChIKey is FRIYEXWETWOBSI-KAODPVEKSA-N. The full InChI is InChI=1S/C22H27FN8O4S.3C21H24FN7O2/c1-12-16(9-25-30(12)11-22(2,3)32)29-5-6-36(33,34)18(10-29)19-27-20-13-7-14(23)17(35-4)8-15(13)26-21(24)31(20)28-19;3*1-3-28-11-13(10-24-28)21(30)6-4-5-12(9-21)18-26-19-14-7-15(22)17(31-2)8-16(14)25-20(23)29(19)27-18/h7-9,18,32H,5-6,10-11H2,1-4H3,(H2,24,26);3*7-8,10-12,30H,3-6,9H2,1-2H3,(H2,23,25)/t18-;2*12-,21+;12-,21-/m1100/s1.

What are the key properties of 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol?

1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol has a molecular weight of 1794.98 g/mol, XLogP of 9.57, 17 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2R)-2-(5-amino-9-fluoro-8-methoxy-[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;cis-(1S,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1S,3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol;trans-(1R,3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 158118859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).