molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

C96H117N19O12S6 — CID 158301911

IUPACmolecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(CC(=O)c4ccc5c(c4)CNCC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cc5c(s4)CCNC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cc5c(s4)CNCC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc5c(c4)CNC5)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26N4O3S.C24H23N5O3S.2C23H23N5O3S2.11H2/c1-16(2)34(32,33)22-7-5-18(6-8-22)23-15-29-26-25(30-23)21(14-28-26)12-24(31)19-4-3-17-9-10-27-13-20(17)11-19;1-14(2)33(31,32)19-7-5-15(6-8-19)20-12-26-23-22(28-20)21(13-27-23)29-24(30)16-3-4-17-10-25-11-18(17)9-16;1-13(2)33(30,31)16-5-3-14(4-6-16)17-11-25-22-21(27-17)18(12-26-22)28-23(29)20-9-15-10-24-8-7-19(15)32-20;1-13(2)33(30,31)16-5-3-14(4-6-16)17-10-25-22-21(27-17)18(11-26-22)28-23(29)19-9-15-7-8-24-12-20(15)32-19;;;;;;;;;;;/h3-8,11,14-16,27H,9-10,12-13H2,1-2H3,(H,28,29);3-9,12-14,25H,10-11H2,1-2H3,(H,26,27)(H,29,30);3-6,9,11-13,24H,7-8,10H2,1-2H3,(H,25,26)(H,28,29);3-6,9-11,13,24H,7-8,12H2,1-2H3,(H,25,26)(H,28,29);11*1H
InChIKeyGMPCRQUTLSVNBB-UHFFFAOYSA-N
MW1921.51 g/mol
LogP17.78
Rot. Bonds21

About molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 158301911) has the molecular formula C96H117N19O12S6 and a molecular weight of 1921.51 g/mol. Its IUPAC name is molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
PubChem CID158301911
Molecular FormulaC96H117N19O12S6
Molecular Weight1921.51 g/mol
Exact Mass1919.75
IUPAC Namemolecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(CC(=O)c4ccc5c(c4)CNCC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cc5c(s4)CCNC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cc5c(s4)CNCC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc5c(c4)CNC5)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26N4O3S.C24H23N5O3S.2C23H23N5O3S2.11H2/c1-16(2)34(32,33)22-7-5-18(6-8-22)23-15-29-26-25(30-23)21(14-28-26)12-24(31)19-4-3-17-9-10-27-13-20(17)11-19;1-14(2)33(31,32)19-7-5-15(6-8-19)20-12-26-23-22(28-20)21(13-27-23)29-24(30)16-3-4-17-10-25-11-18(17)9-16;1-13(2)33(30,31)16-5-3-14(4-6-16)17-11-25-22-21(27-17)18(12-26-22)28-23(29)20-9-15-10-24-8-7-19(15)32-20;1-13(2)33(30,31)16-5-3-14(4-6-16)17-10-25-22-21(27-17)18(11-26-22)28-23(29)19-9-15-7-8-24-12-20(15)32-19;;;;;;;;;;;/h3-8,11,14-16,27H,9-10,12-13H2,1-2H3,(H,28,29);3-9,12-14,25H,10-11H2,1-2H3,(H,26,27)(H,29,30);3-6,9,11-13,24H,7-8,10H2,1-2H3,(H,25,26)(H,28,29);3-6,9-11,13,24H,7-8,12H2,1-2H3,(H,25,26)(H,28,29);11*1H
InChIKeyGMPCRQUTLSVNBB-UHFFFAOYSA-N
XLogP17.78
TPSA455.33 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.51
LogP ≤ 517.78
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridine;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 159108682
3-[[2-(1H-indol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-N-phenyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propane-2-thione;1-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]-2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 161025385
N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71229115
4-[8-[4-(4-Cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;5-[8-[[4-(pyrrolidin-3-ylmethylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123148627
1-[4-[2-[8-amino-3-(1-butylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-1-yl]-1H-indol-5-yl]-5-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 143469525
N-[5-[3-(7-methyl-4-thiophen-2-yl-1H-indol-2-yl)-7-[2-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydrothiophen-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145246410
(5Z)-5-[[2-[(3-aminophenyl)methyl-methylamino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(2,4-dioxo-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[2-(1H-indol-3-yl)ethyl-methylamino]pyrimidin-4-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[2-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[methyl-[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[methyl(thiophen-3-ylmethyl)amino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157053602
N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one
CID 157103212
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 157134596
CID 157136927
CID 157136927
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide;1-[5-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 157181041
N-(2-aminophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-aminophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-aminophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(4-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 157215216

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (CID 158301911) is molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(CC(=O)c4ccc5c(c4)CNCC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cc5c(s4)CCNC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cc5c(s4)CNCC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc5c(c4)CNC5)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is GMPCRQUTLSVNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S.C24H23N5O3S.2C23H23N5O3S2.11H2/c1-16(2)34(32,33)22-7-5-18(6-8-22)23-15-29-26-25(30-23)21(14-28-26)12-24(31)19-4-3-17-9-10-27-13-20(17)11-19;1-14(2)33(31,32)19-7-5-15(6-8-19)20-12-26-23-22(28-20)21(13-27-23)29-24(30)16-3-4-17-10-25-11-18(17)9-16;1-13(2)33(30,31)16-5-3-14(4-6-16)17-11-25-22-21(27-17)18(12-26-22)28-23(29)20-9-15-10-24-8-7-19(15)32-20;1-13(2)33(30,31)16-5-3-14(4-6-16)17-10-25-22-21(27-17)18(11-26-22)28-23(29)19-9-15-7-8-24-12-20(15)32-19;;;;;;;;;;;/h3-8,11,14-16,27H,9-10,12-13H2,1-2H3,(H,28,29);3-9,12-14,25H,10-11H2,1-2H3,(H,26,27)(H,29,30);3-6,9,11-13,24H,7-8,10H2,1-2H3,(H,25,26)(H,28,29);3-6,9-11,13,24H,7-8,12H2,1-2H3,(H,25,26)(H,28,29);11*1H.
What are the key properties of molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 1921.51 g/mol, XLogP of 17.78, 21 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 158301911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).