6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C109H105F4N15O20S5 — CID 162202966

IUPAC6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCS(=O)(=O)Cc1ccc(Oc2ccccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ncn23)c1.CCS(=O)(=O)c1ccc(Oc2ccccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)cnc2OC2CCCCC2)n2cn[nH]c(=O)c12
InChIInChI=1S/C24H24N2O4S.C23H22N2O4S.C21H18F2N4O4S.C21H17F2N3O4S.C20H24N4O4S/c1-4-31(28,29)15-18-9-10-22(30-21-8-6-5-7-16(21)2)19(14-18)20-13-17(3)23-24(27)25-11-12-26(20)23;1-4-30(27,28)17-9-10-21(29-20-8-6-5-7-15(20)2)18(14-17)19-13-16(3)22-23(26)24-11-12-25(19)22;1-3-32(29,30)10-13-7-15(17-6-12(2)19-20(28)26-25-11-27(17)19)21(24-9-13)31-18-5-4-14(22)8-16(18)23;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;1-13-8-17(24-12-22-23-19(25)18(13)24)16-9-14(11-29(2,26)27)10-21-20(16)28-15-6-4-3-5-7-15/h5-14H,4,15H2,1-3H3,(H,25,27);5-14H,4H2,1-3H3,(H,24,26);4-9,11H,3,10H2,1-2H3,(H,26,28);3-9,11H,10H2,1-2H3,(H,25,27);8-10,12,15H,3-7,11H2,1-2H3,(H,23,25)
InChIKeyZRVBOQGSMPJRTL-UHFFFAOYSA-N
MW2181.45 g/mol
LogP18.80
Rot. Bonds27

About 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 162202966) has the molecular formula C109H105F4N15O20S5 and a molecular weight of 2181.45 g/mol. Its IUPAC name is 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID162202966
Molecular FormulaC109H105F4N15O20S5
Molecular Weight2181.45 g/mol
Exact Mass2179.62
IUPAC Name6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCS(=O)(=O)Cc1ccc(Oc2ccccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ncn23)c1.CCS(=O)(=O)c1ccc(Oc2ccccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)cnc2OC2CCCCC2)n2cn[nH]c(=O)c12
InChIInChI=1S/C24H24N2O4S.C23H22N2O4S.C21H18F2N4O4S.C21H17F2N3O4S.C20H24N4O4S/c1-4-31(28,29)15-18-9-10-22(30-21-8-6-5-7-16(21)2)19(14-18)20-13-17(3)23-24(27)25-11-12-26(20)23;1-4-30(27,28)17-9-10-21(29-20-8-6-5-7-15(20)2)18(14-17)19-13-16(3)22-23(26)24-11-12-25(19)22;1-3-32(29,30)10-13-7-15(17-6-12(2)19-20(28)26-25-11-27(17)19)21(24-9-13)31-18-5-4-14(22)8-16(18)23;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;1-13-8-17(24-12-22-23-19(25)18(13)24)16-9-14(11-29(2,26)27)10-21-20(16)28-15-6-4-3-5-7-15/h5-14H,4,15H2,1-3H3,(H,25,27);5-14H,4H2,1-3H3,(H,24,26);4-9,11H,3,10H2,1-2H3,(H,26,28);3-9,11H,10H2,1-2H3,(H,25,27);8-10,12,15H,3-7,11H2,1-2H3,(H,23,25)
InChIKeyZRVBOQGSMPJRTL-UHFFFAOYSA-N
XLogP18.80
TPSA467.65 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002181.45
LogP ≤ 518.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 162202966) is 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is CCS(=O)(=O)Cc1ccc(Oc2ccccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ncn23)c1.CCS(=O)(=O)c1ccc(Oc2ccccc2C)c(-c2cc(C)c3c(=O)[nH]ccn23)c1.Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cn[nH]c(=O)c12.Cc1cc(-c2cc(CS(C)(=O)=O)cnc2OC2CCCCC2)n2cn[nH]c(=O)c12.
What is the InChIKey of 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is ZRVBOQGSMPJRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S.C23H22N2O4S.C21H18F2N4O4S.C21H17F2N3O4S.C20H24N4O4S/c1-4-31(28,29)15-18-9-10-22(30-21-8-6-5-7-16(21)2)19(14-18)20-13-17(3)23-24(27)25-11-12-26(20)23;1-4-30(27,28)17-9-10-21(29-20-8-6-5-7-15(20)2)18(14-17)19-13-16(3)22-23(26)24-11-12-25(19)22;1-3-32(29,30)10-13-7-15(17-6-12(2)19-20(28)26-25-11-27(17)19)21(24-9-13)31-18-5-4-14(22)8-16(18)23;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;1-13-8-17(24-12-22-23-19(25)18(13)24)16-9-14(11-29(2,26)27)10-21-20(16)28-15-6-4-3-5-7-15/h5-14H,4,15H2,1-3H3,(H,25,27);5-14H,4H2,1-3H3,(H,24,26);4-9,11H,3,10H2,1-2H3,(H,26,28);3-9,11H,10H2,1-2H3,(H,25,27);8-10,12,15H,3-7,11H2,1-2H3,(H,23,25).
What are the key properties of 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 2181.45 g/mol, XLogP of 18.80, 27 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one;6-[5-(ethylsulfonylmethyl)-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;6-[5-ethylsulfonyl-2-(2-methylphenoxy)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 162202966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).