N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide

C79H72F4N16O16S4 — CID 167659749

About N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide

N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide (PubChem CID 167659749) has the molecular formula C79H72F4N16O16S4 and a molecular weight of 1705.80 g/mol. Its IUPAC name is N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
• PubChem CID: 167659749
• Molecular Formula: C79H72F4N16O16S4
• Molecular Weight: 1705.80 g/mol
• Exact Mass: 1704.41
• IUPAC Name: N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
• SMILES: CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ncn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)n2cn[nH]c(=O)c12
• InChI: InChI=1S/C21H18F2N4O4S.C21H17F2N3O4S.C19H17N5O4S.C18H20N4O4S/c1-3-32(29,30)26-14-5-7-18(31-19-6-4-13(22)9-16(19)23)15(10-14)17-8-12(2)20-21(28)25-24-11-27(17)20;1-12-7-17(26-11-24-25-21(27)20(12)26)15-8-13(10-31(2,28)29)3-5-18(15)30-19-6-4-14(22)9-16(19)23;1-12-8-16(24-11-21-22-19(25)18(12)24)15-9-13(23-29(2,26)27)5-6-17(15)28-14-4-3-7-20-10-14;1-11-7-15(22-10-19-20-18(23)17(11)22)14-8-13(21-27(2,24)25)5-6-16(14)26-9-12-3-4-12/h4-11,26H,3H2,1-2H3,(H,25,28);3-9,11H,10H2,1-2H3,(H,25,27);3-11,23H,1-2H3,(H,22,25);5-8,10,12,21H,3-4,9H2,1-2H3,(H,20,23)
• InChIKey: RUAOOYHSMNVSLD-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 423.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1705.80
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?

The IUPAC name of N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide (CID 167659749) is N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide.

What is the SMILES notation for N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?

The canonical SMILES for N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ncn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OCC2CC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)n2cn[nH]c(=O)c12.

What is the InChIKey of N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?

The InChIKey is RUAOOYHSMNVSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O4S.C21H17F2N3O4S.C19H17N5O4S.C18H20N4O4S/c1-3-32(29,30)26-14-5-7-18(31-19-6-4-13(22)9-16(19)23)15(10-14)17-8-12(2)20-21(28)25-24-11-27(17)20;1-12-7-17(26-11-24-25-21(27)20(12)26)15-8-13(10-31(2,28)29)3-5-18(15)30-19-6-4-14(22)9-16(19)23;1-12-8-16(24-11-21-22-19(25)18(12)24)15-9-13(23-29(2,26)27)5-6-17(15)28-14-4-3-7-20-10-14;1-11-7-15(22-10-19-20-18(23)17(11)22)14-8-13(21-27(2,24)25)5-6-16(14)26-9-12-3-4-12/h4-11,26H,3H2,1-2H3,(H,25,28);3-9,11H,10H2,1-2H3,(H,25,27);3-11,23H,1-2H3,(H,22,25);5-8,10,12,21H,3-4,9H2,1-2H3,(H,20,23).

What are the key properties of N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide?

N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide has a molecular weight of 1705.80 g/mol, XLogP of 12.16, 22 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]ethanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide is sourced from PubChem (CID 167659749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).