N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane

C75H82N16O18S5 — CID 167657720

IUPACN-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2O[C@H]2CCOC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OCC2CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2cccnc2)n2cc[nH]c(=O)c12.S
InChIInChI=1S/C19H17N5O4S.C19H22N4O5S.C19H21N3O5S.C18H20N4O4S.H2S/c1-12-8-16(24-7-6-21-18(25)17(12)24)15-9-13(23-29(2,26)27)10-22-19(15)28-14-4-3-5-20-11-14;1-12-9-16(23-6-5-20-18(24)17(12)23)15-10-13(22-29(2,25)26)11-21-19(15)28-14-3-7-27-8-4-14;1-12-9-16(22-7-6-20-19(23)18(12)22)15-10-13(21-28(2,24)25)3-4-17(15)27-14-5-8-26-11-14;1-11-7-15(22-6-5-19-17(23)16(11)22)14-8-13(21-27(2,24)25)9-20-18(14)26-10-12-3-4-12;/h3-11,23H,1-2H3,(H,21,25);5-6,9-11,14,22H,3-4,7-8H2,1-2H3,(H,20,24);3-4,6-7,9-10,14,21H,5,8,11H2,1-2H3,(H,20,23);5-9,12,21H,3-4,10H2,1-2H3,(H,19,23);1H2/t;;14-;;/m..0../s1
InChIKeyRMUXRYSYSZJRFV-GLAWKEQLSA-N
MW1655.91 g/mol
LogP8.90
Rot. Bonds21

About N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane

N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane (PubChem CID 167657720) has the molecular formula C75H82N16O18S5 and a molecular weight of 1655.91 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane.

Molecular Properties

Compound NameN-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane
PubChem CID167657720
Molecular FormulaC75H82N16O18S5
Molecular Weight1655.91 g/mol
Exact Mass1654.46
IUPAC NameN-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2O[C@H]2CCOC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OCC2CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2cccnc2)n2cc[nH]c(=O)c12.S
InChIInChI=1S/C19H17N5O4S.C19H22N4O5S.C19H21N3O5S.C18H20N4O4S.H2S/c1-12-8-16(24-7-6-21-18(25)17(12)24)15-9-13(23-29(2,26)27)10-22-19(15)28-14-4-3-5-20-11-14;1-12-9-16(23-6-5-20-18(24)17(12)23)15-10-13(22-29(2,25)26)11-21-19(15)28-14-3-7-27-8-4-14;1-12-9-16(22-7-6-20-19(23)18(12)22)15-10-13(21-28(2,24)25)3-4-17(15)27-14-5-8-26-11-14;1-11-7-15(22-6-5-19-17(23)16(11)22)14-8-13(21-27(2,24)25)9-20-18(14)26-10-12-3-4-12;/h3-11,23H,1-2H3,(H,21,25);5-6,9-11,14,22H,3-4,7-8H2,1-2H3,(H,20,24);3-4,6-7,9-10,14,21H,5,8,11H2,1-2H3,(H,20,23);5-9,12,21H,3-4,10H2,1-2H3,(H,19,23);1H2/t;;14-;;/m..0../s1
InChIKeyRMUXRYSYSZJRFV-GLAWKEQLSA-N
XLogP8.90
TPSA440.70 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001655.91
LogP ≤ 58.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane?
The IUPAC name of N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane (CID 167657720) is N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane.
What is the SMILES notation for N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane?
The canonical SMILES for N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2O[C@H]2CCOC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCOCC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OCC2CC2)n2cc[nH]c(=O)c12.Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2cccnc2)n2cc[nH]c(=O)c12.S.
What is the InChIKey of N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane?
The InChIKey is RMUXRYSYSZJRFV-GLAWKEQLSA-N. The full InChI is InChI=1S/C19H17N5O4S.C19H22N4O5S.C19H21N3O5S.C18H20N4O4S.H2S/c1-12-8-16(24-7-6-21-18(25)17(12)24)15-9-13(23-29(2,26)27)10-22-19(15)28-14-4-3-5-20-11-14;1-12-9-16(23-6-5-20-18(24)17(12)23)15-10-13(22-29(2,25)26)11-21-19(15)28-14-3-7-27-8-4-14;1-12-9-16(22-7-6-20-19(23)18(12)22)15-10-13(21-28(2,24)25)3-4-17(15)27-14-5-8-26-11-14;1-11-7-15(22-6-5-19-17(23)16(11)22)14-8-13(21-27(2,24)25)9-20-18(14)26-10-12-3-4-12;/h3-11,23H,1-2H3,(H,21,25);5-6,9-11,14,22H,3-4,7-8H2,1-2H3,(H,20,24);3-4,6-7,9-10,14,21H,5,8,11H2,1-2H3,(H,20,23);5-9,12,21H,3-4,10H2,1-2H3,(H,19,23);1H2/t;;14-;;/m..0../s1.
What are the key properties of N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane?
N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane has a molecular weight of 1655.91 g/mol, XLogP of 8.90, 21 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-(oxan-4-yloxy)-3-pyridinyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-[(3S)-oxolan-3-yl]oxyphenyl]methanesulfonamide;N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-pyridin-3-yloxy-3-pyridinyl]methanesulfonamide;sulfane is sourced from PubChem (CID 167657720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).