N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide

C86H97F4N15O17S4 — CID 158616479

IUPACN-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C24H29F2N3O4S.C21H18F2N4O4S.C21H26N4O4S.C20H24N4O5S/c1-15-13-19(29-12-11-27-22(30)21(15)29)18-14-17(34(31,32)28-23(2,3)4)5-6-20(18)33-16-7-9-24(25,26)10-8-16;1-12-8-17(27-7-6-24-20(28)19(12)27)15-10-14(32(29,30)26(2)3)11-25-21(15)31-18-5-4-13(22)9-16(18)23;1-14-11-18(25-10-9-22-20(26)19(14)25)17-12-16(30(27,28)24(2)3)13-23-21(17)29-15-7-5-4-6-8-15;1-13-10-17(24-7-6-21-19(25)18(13)24)16-11-15(30(26,27)23(2)3)12-22-20(16)29-14-4-8-28-9-5-14/h5-6,11-14,16,28H,7-10H2,1-4H3,(H,27,30);4-11H,1-3H3,(H,24,28);9-13,15H,4-8H2,1-3H3,(H,22,26);6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,21,25)
InChIKeyHXLMAJKZUSYZIT-UHFFFAOYSA-N
MW1817.07 g/mol
LogP12.72
Rot. Bonds20

About N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide

N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide (PubChem CID 158616479) has the molecular formula C86H97F4N15O17S4 and a molecular weight of 1817.07 g/mol. Its IUPAC name is N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide
PubChem CID158616479
Molecular FormulaC86H97F4N15O17S4
Molecular Weight1817.07 g/mol
Exact Mass1815.60
IUPAC NameN-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12
InChIInChI=1S/C24H29F2N3O4S.C21H18F2N4O4S.C21H26N4O4S.C20H24N4O5S/c1-15-13-19(29-12-11-27-22(30)21(15)29)18-14-17(34(31,32)28-23(2,3)4)5-6-20(18)33-16-7-9-24(25,26)10-8-16;1-12-8-17(27-7-6-24-20(28)19(12)27)15-10-14(32(29,30)26(2)3)11-25-21(15)31-18-5-4-13(22)9-16(18)23;1-14-11-18(25-10-9-22-20(26)19(14)25)17-12-16(30(27,28)24(2)3)13-23-21(17)29-15-7-5-4-6-8-15;1-13-10-17(24-7-6-21-19(25)18(13)24)16-11-15(30(26,27)23(2)3)12-22-20(16)29-14-4-8-28-9-5-14/h5-6,11-14,16,28H,7-10H2,1-4H3,(H,27,30);4-11H,1-3H3,(H,24,28);9-13,15H,4-8H2,1-3H3,(H,22,26);6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,21,25)
InChIKeyHXLMAJKZUSYZIT-UHFFFAOYSA-N
XLogP12.72
TPSA392.21 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001817.07
LogP ≤ 512.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide (CID 158616479) is N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2OC2CCCCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC2CCC(F)(F)CC2)n2cc[nH]c(=O)c12.
What is the InChIKey of N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide?
The InChIKey is HXLMAJKZUSYZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O4S.C21H18F2N4O4S.C21H26N4O4S.C20H24N4O5S/c1-15-13-19(29-12-11-27-22(30)21(15)29)18-14-17(34(31,32)28-23(2,3)4)5-6-20(18)33-16-7-9-24(25,26)10-8-16;1-12-8-17(27-7-6-24-20(28)19(12)27)15-10-14(32(29,30)26(2)3)11-25-21(15)31-18-5-4-13(22)9-16(18)23;1-14-11-18(25-10-9-22-20(26)19(14)25)17-12-16(30(27,28)24(2)3)13-23-21(17)29-15-7-5-4-6-8-15;1-13-10-17(24-7-6-21-19(25)18(13)24)16-11-15(30(26,27)23(2)3)12-22-20(16)29-14-4-8-28-9-5-14/h5-6,11-14,16,28H,7-10H2,1-4H3,(H,27,30);4-11H,1-3H3,(H,24,28);9-13,15H,4-8H2,1-3H3,(H,22,26);6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,21,25).
What are the key properties of N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide?
N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide has a molecular weight of 1817.07 g/mol, XLogP of 12.72, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide;6-cyclohexyloxy-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide;N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)pyridine-3-sulfonamide is sourced from PubChem (CID 158616479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).