4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide

C100H125N21O14S4 — CID 161314592

IUPAC4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide
SMILESC.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(C5CCCN5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(NC5CNC5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(OCCN(C)C)cc4)c3n2)cc1.COc1cccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H29N5O4S.C26H27N5O3S.C25H26N6O3S.C22H21N5O4S.CH4.9H2/c1-17(2)36(33,34)21-11-7-18(8-12-21)22-15-27-25-24(29-22)23(16-28-25)30-26(32)19-5-9-20(10-6-19)35-14-13-31(3)4;1-16(2)35(33,34)20-11-9-18(10-12-20)22-14-28-25-24(30-22)23(15-29-25)31-26(32)19-7-5-17(6-8-19)21-4-3-13-27-21;1-15(2)35(33,34)20-9-5-16(6-10-20)21-13-27-24-23(30-21)22(14-28-24)31-25(32)17-3-7-18(8-4-17)29-19-11-26-12-19;1-13(2)32(29,30)15-9-7-14(8-10-15)17-11-23-21-20(26-17)18(12-24-21)27-22(28)16-5-4-6-19(25-16)31-3;;;;;;;;;;/h5-12,15-17H,13-14H2,1-4H3,(H,27,28)(H,30,32);5-12,14-16,21,27H,3-4,13H2,1-2H3,(H,28,29)(H,31,32);3-10,13-15,19,26,29H,11-12H2,1-2H3,(H,27,28)(H,31,32);4-13H,1-3H3,(H,23,24)(H,27,28);1H4;9*1H
InChIKeyVJIHDXLHNGCLMT-UHFFFAOYSA-N
MW1973.50 g/mol
LogP18.24
Rot. Bonds28

About 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide

4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide (PubChem CID 161314592) has the molecular formula C100H125N21O14S4 and a molecular weight of 1973.50 g/mol. Its IUPAC name is 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide.

Molecular Properties

Compound Name4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide
PubChem CID161314592
Molecular FormulaC100H125N21O14S4
Molecular Weight1973.50 g/mol
Exact Mass1971.86
IUPAC Name4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide
SMILESC.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(C5CCCN5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(NC5CNC5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(OCCN(C)C)cc4)c3n2)cc1.COc1cccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H29N5O4S.C26H27N5O3S.C25H26N6O3S.C22H21N5O4S.CH4.9H2/c1-17(2)36(33,34)21-11-7-18(8-12-21)22-15-27-25-24(29-22)23(16-28-25)30-26(32)19-5-9-20(10-6-19)35-14-13-31(3)4;1-16(2)35(33,34)20-11-9-18(10-12-20)22-14-28-25-24(30-22)23(15-29-25)31-26(32)19-7-5-17(6-8-19)21-4-3-13-27-21;1-15(2)35(33,34)20-9-5-16(6-10-20)21-13-27-24-23(30-21)22(14-28-24)31-25(32)17-3-7-18(8-4-17)29-19-11-26-12-19;1-13(2)32(29,30)15-9-7-14(8-10-15)17-11-23-21-20(26-17)18(12-24-21)27-22(28)16-5-4-6-19(25-16)31-3;;;;;;;;;;/h5-12,15-17H,13-14H2,1-4H3,(H,27,28)(H,30,32);5-12,14-16,21,27H,3-4,13H2,1-2H3,(H,28,29)(H,31,32);3-10,13-15,19,26,29H,11-12H2,1-2H3,(H,27,28)(H,31,32);4-13H,1-3H3,(H,23,24)(H,27,28);1H4;9*1H
InChIKeyVJIHDXLHNGCLMT-UHFFFAOYSA-N
XLogP18.24
TPSA489.92 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.50
LogP ≤ 518.24
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide with MolForge

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Related Compounds

3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[4-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-(4-methylsulfonylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 162140082
N,N-dimethyl-4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 157106947
3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157147659
2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 157246131
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;N,N-dimethyl-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;molecular hydrogen;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carbonitrile
CID 157419304
7-(1-benzofuran-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 157493676
5-[2-(dimethylamino)ethoxy]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[2-(dimethylamino)ethoxy]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;3-(2-hydroxyethyl)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
CID 157547822
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;N,N-dimethyl-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol
CID 157965860
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]methyl]-3H-indole
CID 158045821
N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]piperazine-1-carboxylate;N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 158217929
1-N-[3-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]benzamide;1-[5-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]ethanone;3-N,3-N-dimethyl-1-N-[3-(4-methylsulfinylphenyl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(2-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(3-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
CID 158860058
7-(1-benzofuran-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1H-indol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 159052075

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide?
The IUPAC name of 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide (CID 161314592) is 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide.
What is the SMILES notation for 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide?
The canonical SMILES for 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide is C.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(C5CCCN5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(NC5CNC5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(OCCN(C)C)cc4)c3n2)cc1.COc1cccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide?
The InChIKey is VJIHDXLHNGCLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S.C26H27N5O3S.C25H26N6O3S.C22H21N5O4S.CH4.9H2/c1-17(2)36(33,34)21-11-7-18(8-12-21)22-15-27-25-24(29-22)23(16-28-25)30-26(32)19-5-9-20(10-6-19)35-14-13-31(3)4;1-16(2)35(33,34)20-11-9-18(10-12-20)22-14-28-25-24(30-22)23(15-29-25)31-26(32)19-7-5-17(6-8-19)21-4-3-13-27-21;1-15(2)35(33,34)20-9-5-16(6-10-20)21-13-27-24-23(30-21)22(14-28-24)31-25(32)17-3-7-18(8-4-17)29-19-11-26-12-19;1-13(2)32(29,30)15-9-7-14(8-10-15)17-11-23-21-20(26-17)18(12-24-21)27-22(28)16-5-4-6-19(25-16)31-3;;;;;;;;;;/h5-12,15-17H,13-14H2,1-4H3,(H,27,28)(H,30,32);5-12,14-16,21,27H,3-4,13H2,1-2H3,(H,28,29)(H,31,32);3-10,13-15,19,26,29H,11-12H2,1-2H3,(H,27,28)(H,31,32);4-13H,1-3H3,(H,23,24)(H,27,28);1H4;9*1H.
What are the key properties of 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide?
4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide has a molecular weight of 1973.50 g/mol, XLogP of 18.24, 28 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide is sourced from PubChem (CID 161314592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).