N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

C78H76F6N18O16S4 — CID 167610099

IUPACN-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCCCC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12
InChIInChI=1S/C20H22F2N4O4S.C20H16F2N4O4S.C19H15F2N5O4S.C19H23N5O4S/c1-12-7-16(26-11-24-25-18(27)17(12)26)15-8-13(10-31(2,28)29)9-23-19(15)30-14-3-5-20(21,22)6-4-14;1-11-5-16(26-10-24-25-19(27)18(11)26)14-6-12(9-31(2,28)29)8-23-20(14)30-17-4-3-13(21)7-15(17)22;1-10-5-15(26-9-23-24-18(27)17(10)26)13-7-12(25-31(2,28)29)8-22-19(13)30-16-4-3-11(20)6-14(16)21;1-12-8-16(24-11-21-22-18(25)17(12)24)15-9-13(23-29(2,26)27)10-20-19(15)28-14-6-4-3-5-7-14/h7-9,11,14H,3-6,10H2,1-2H3,(H,25,27);3-8,10H,9H2,1-2H3,(H,25,27);3-9,25H,1-2H3,(H,24,27);8-11,14,23H,3-7H2,1-2H3,(H,22,25)
InChIKeyKXOYHCRJINMMCE-UHFFFAOYSA-N
MW1763.83 g/mol
LogP11.21
Rot. Bonds20

About N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 167610099) has the molecular formula C78H76F6N18O16S4 and a molecular weight of 1763.83 g/mol. Its IUPAC name is N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound NameN-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID167610099
Molecular FormulaC78H76F6N18O16S4
Molecular Weight1763.83 g/mol
Exact Mass1762.45
IUPAC NameN-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCCCC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12
InChIInChI=1S/C20H22F2N4O4S.C20H16F2N4O4S.C19H15F2N5O4S.C19H23N5O4S/c1-12-7-16(26-11-24-25-18(27)17(12)26)15-8-13(10-31(2,28)29)9-23-19(15)30-14-3-5-20(21,22)6-4-14;1-11-5-16(26-10-24-25-19(27)18(11)26)14-6-12(9-31(2,28)29)8-23-20(14)30-17-4-3-13(21)7-15(17)22;1-10-5-15(26-9-23-24-18(27)17(10)26)13-7-12(25-31(2,28)29)8-22-19(13)30-16-4-3-11(20)6-14(16)21;1-12-8-16(24-11-21-22-18(25)17(12)24)15-9-13(23-29(2,26)27)10-20-19(15)28-14-6-4-3-5-7-14/h7-9,11,14H,3-6,10H2,1-2H3,(H,25,27);3-8,10H,9H2,1-2H3,(H,25,27);3-9,25H,1-2H3,(H,24,27);8-11,14,23H,3-7H2,1-2H3,(H,22,25)
InChIKeyKXOYHCRJINMMCE-UHFFFAOYSA-N
XLogP11.21
TPSA449.74 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001763.83
LogP ≤ 511.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 167610099) is N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one is Cc1cc(-c2cc(CS(C)(=O)=O)cnc2OC2CCC(F)(F)CC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCCCC2)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12.
What is the InChIKey of N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is KXOYHCRJINMMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4S.C20H16F2N4O4S.C19H15F2N5O4S.C19H23N5O4S/c1-12-7-16(26-11-24-25-18(27)17(12)26)15-8-13(10-31(2,28)29)9-23-19(15)30-14-3-5-20(21,22)6-4-14;1-11-5-16(26-10-24-25-19(27)18(11)26)14-6-12(9-31(2,28)29)8-23-20(14)30-17-4-3-13(21)7-15(17)22;1-10-5-15(26-9-23-24-18(27)17(10)26)13-7-12(25-31(2,28)29)8-22-19(13)30-16-4-3-11(20)6-14(16)21;1-12-8-16(24-11-21-22-18(25)17(12)24)15-9-13(23-29(2,26)27)10-20-19(15)28-14-6-4-3-5-7-14/h7-9,11,14H,3-6,10H2,1-2H3,(H,25,27);3-8,10H,9H2,1-2H3,(H,25,27);3-9,25H,1-2H3,(H,24,27);8-11,14,23H,3-7H2,1-2H3,(H,22,25).
What are the key properties of N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 1763.83 g/mol, XLogP of 11.21, 20 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(4,4-difluorocyclohexyl)oxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 167610099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).