N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen

C97H112N16O17S4 — CID 158843915

About N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen

N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen (PubChem CID 158843915) has the molecular formula C97H112N16O17S4 and a molecular weight of 1902.33 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen.

Molecular Properties

• Compound Name: N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen
• PubChem CID: 158843915
• Molecular Formula: C97H112N16O17S4
• Molecular Weight: 1902.33 g/mol
• Exact Mass: 1900.73
• IUPAC Name: N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen
• SMILES: C.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N(CC(N)=O)C4CCCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCOc5ccccc5C4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4CO)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3c(n2)C(C(=O)N2CCC4(CC2)OCCO4)=CC3)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H24N4O4S.C24H24N4O4S.C24H27N3O5S.C23H27N5O4S.CH4.3H2/c1-16(2)34(31,32)19-9-7-17(8-10-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-11-12-33-22-6-4-3-5-18(22)15-29;1-15(2)33(31,32)19-9-7-16(8-10-19)21-13-26-23-22(28-21)20(12-25-23)24(30)27-11-17-5-3-4-6-18(17)14-29;1-16(2)33(29,30)18-5-3-17(4-6-18)21-15-25-20-8-7-19(22(20)26-21)23(28)27-11-9-24(10-12-27)31-13-14-32-24;1-14(2)33(31,32)17-9-7-15(8-10-17)19-12-26-22-21(27-19)18(11-25-22)23(30)28(13-20(24)29)16-5-3-4-6-16;;;;/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,26,27);3-10,12-13,15,29H,11,14H2,1-2H3,(H,25,26)(H,27,30);3-7,15-16H,8-14H2,1-2H3;7-12,14,16H,3-6,13H2,1-2H3,(H2,24,29)(H,25,26);1H4;3*1H
• InChIKey: IYOXTOQPBSZTLA-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 468.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.33
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen?

The IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen (CID 158843915) is N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen.

What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen?

The canonical SMILES for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen is C.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N(CC(N)=O)C4CCCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCOc5ccccc5C4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4CO)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3c(n2)C(C(=O)N2CCC4(CC2)OCCO4)=CC3)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen?

The InChIKey is IYOXTOQPBSZTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S.C24H24N4O4S.C24H27N3O5S.C23H27N5O4S.CH4.3H2/c1-16(2)34(31,32)19-9-7-17(8-10-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-11-12-33-22-6-4-3-5-18(22)15-29;1-15(2)33(31,32)19-9-7-16(8-10-19)21-13-26-23-22(28-21)20(12-25-23)24(30)27-11-17-5-3-4-6-18(17)14-29;1-16(2)33(29,30)18-5-3-17(4-6-18)21-15-25-20-8-7-19(22(20)26-21)23(28)27-11-9-24(10-12-27)31-13-14-32-24;1-14(2)33(31,32)17-9-7-15(8-10-17)19-12-26-22-21(27-19)18(11-25-22)23(30)28(13-20(24)29)16-5-3-4-6-16;;;;/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,26,27);3-10,12-13,15,29H,11,14H2,1-2H3,(H,25,26)(H,27,30);3-7,15-16H,8-14H2,1-2H3;7-12,14,16H,3-6,13H2,1-2H3,(H2,24,29)(H,25,26);1H4;3*1H.

What are the key properties of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen?

N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen has a molecular weight of 1902.33 g/mol, XLogP of 13.75, 22 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen is sourced from PubChem (CID 158843915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).