2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol

C99H84Cl5F5N30O6 — CID 158186906

IUPAC2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol
SMILESCOc1cccc([C@H](C)Nc2nc(-c3c[nH]c4ncc(Cl)nc34)ncc2F)c1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ccc1C(=O)O)c1ccc(F)cc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ccc1C(N)=O)c1ccc(F)cc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(O)c1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C22H23ClFN7O.C20H16ClFN6O.C20H15ClFN5O2.C19H16ClFN6O.C18H14ClFN6O/c1-13(14-5-4-6-15(9-14)32-8-7-31(2)3)28-21-17(24)11-26-20(30-21)16-10-25-22-19(16)29-18(23)12-27-22;1-10(11-2-4-12(22)5-3-11)26-19-13(18(23)29)6-7-15(27-19)14-8-24-20-17(14)28-16(21)9-25-20;1-10(11-2-4-12(22)5-3-11)25-18-13(20(28)29)6-7-15(26-18)14-8-23-19-17(14)27-16(21)9-24-19;1-10(11-4-3-5-12(6-11)28-2)25-18-14(21)8-23-17(27-18)13-7-22-19-16(13)26-15(20)9-24-19;1-9(10-3-2-4-11(27)5-10)24-17-13(20)7-22-16(26-17)12-6-21-18-15(12)25-14(19)8-23-18/h4-6,9-13H,7-8H2,1-3H3,(H,25,27)(H,26,28,30);2-10H,1H3,(H2,23,29)(H,24,25)(H,26,27);2-10H,1H3,(H,23,24)(H,25,26)(H,28,29);3-10H,1-2H3,(H,22,24)(H,23,25,27);2-9,27H,1H3,(H,21,23)(H,22,24,26)/t13-;3*10-;9-/m00000/s1
InChIKeyFZGDWARFQDGCIC-PMLKMTJUSA-N
MW2062.22 g/mol
LogP21.56
Rot. Bonds27

About 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol

2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 158186906) has the molecular formula C99H84Cl5F5N30O6 and a molecular weight of 2062.22 g/mol. Its IUPAC name is 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol
PubChem CID158186906
Molecular FormulaC99H84Cl5F5N30O6
Molecular Weight2062.22 g/mol
Exact Mass2058.56
IUPAC Name2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol
SMILESCOc1cccc([C@H](C)Nc2nc(-c3c[nH]c4ncc(Cl)nc34)ncc2F)c1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ccc1C(=O)O)c1ccc(F)cc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ccc1C(N)=O)c1ccc(F)cc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(O)c1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C22H23ClFN7O.C20H16ClFN6O.C20H15ClFN5O2.C19H16ClFN6O.C18H14ClFN6O/c1-13(14-5-4-6-15(9-14)32-8-7-31(2)3)28-21-17(24)11-26-20(30-21)16-10-25-22-19(16)29-18(23)12-27-22;1-10(11-2-4-12(22)5-3-11)26-19-13(18(23)29)6-7-15(27-19)14-8-24-20-17(14)28-16(21)9-25-20;1-10(11-2-4-12(22)5-3-11)25-18-13(20(28)29)6-7-15(26-18)14-8-23-19-17(14)27-16(21)9-24-19;1-10(11-4-3-5-12(6-11)28-2)25-18-14(21)8-23-17(27-18)13-7-22-19-16(13)26-15(20)9-24-19;1-9(10-3-2-4-11(27)5-10)24-17-13(20)7-22-16(26-17)12-6-21-18-15(12)25-14(19)8-23-18/h4-6,9-13H,7-8H2,1-3H3,(H,25,27)(H,26,28,30);2-10H,1H3,(H2,23,29)(H,24,25)(H,26,27);2-10H,1H3,(H,23,24)(H,25,26)(H,28,29);3-10H,1-2H3,(H,22,24)(H,23,25,27);2-9,27H,1H3,(H,21,23)(H,22,24,26)/t13-;3*10-;9-/m00000/s1
InChIKeyFZGDWARFQDGCIC-PMLKMTJUSA-N
XLogP21.56
TPSA493.44 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.22
LogP ≤ 521.56
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol with MolForge

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Related Compounds

8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 157988270
(5Z)-2-amino-4-chloro-5-[[5-[3-(diethylamino)propyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
CID 158404346
5-chloro-3-pyrimidin-2-yl-1H-pyrrolo[2,3-b]pyridine;3-[5-fluoro-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-[5-fluoro-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol;(2S)-2-[[5-fluoro-2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;methyl 3-[5-fluoro-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 158602163
Benzyl 5-(1-amino-2-methylindolizine-3-carbonyl)-2-[(2,2,2-trifluoroacetyl)amino]benzoate;3-[2-[2-[[2-(3-carboxyphenoxy)acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid;methane;methyl 2-amino-5-(1-aminoimidazo[1,5-a]pyridine-3-carbonyl)benzoate;methyl 2-amino-5-[1-[[3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoyl]amino]imidazo[1,5-a]pyridine-3-carbonyl]benzoate;3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid
CID 159240990
N-(furan-2-ylmethyl)-2-phenyl-7H-purin-6-amine;3-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-3-ylethyl)-7H-purin-6-amine;N-[[4-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 162055386
8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;5-tert-butyl-2-(4-methoxyphenyl)-8aH-imidazo[1,2-a]pyridin-4-ium;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 162108580
2-(1-aminoethyl)phenol;tert-butyl N-[2-[2-(1-aminoethyl)phenoxy]ethyl]carbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[2-(5,5,5-trifluoro-4-oxopentan-2-yl)phenoxy]ethyl]carbamate;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]ethylamino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;3-methyl-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaen-14-one;3-methyl-17-(2-trimethylsilylethoxymethyl)-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaen-14-one;1,1,1-trifluoro-4-(2-hydroxyphenyl)pentan-2-one
CID 162172822
8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine
CID 165050039
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-5-ethyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 90701143
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
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3-[9-[(3-Ethyl-5-methoxyphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;methyl 4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]benzoate;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123593688
4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-(8-amino-1-furo[3,2-b]pyridin-2-ylimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(4-oxo-1,5-dihydropyrrolo[3,2-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide;4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylpiperidine-1-carboxamide
CID 136652089

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol (CID 158186906) is 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol is COc1cccc([C@H](C)Nc2nc(-c3c[nH]c4ncc(Cl)nc34)ncc2F)c1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ccc1C(=O)O)c1ccc(F)cc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ccc1C(N)=O)c1ccc(F)cc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(O)c1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(OCCN(C)C)c1.
What is the InChIKey of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is FZGDWARFQDGCIC-PMLKMTJUSA-N. The full InChI is InChI=1S/C22H23ClFN7O.C20H16ClFN6O.C20H15ClFN5O2.C19H16ClFN6O.C18H14ClFN6O/c1-13(14-5-4-6-15(9-14)32-8-7-31(2)3)28-21-17(24)11-26-20(30-21)16-10-25-22-19(16)29-18(23)12-27-22;1-10(11-2-4-12(22)5-3-11)26-19-13(18(23)29)6-7-15(27-19)14-8-24-20-17(14)28-16(21)9-25-20;1-10(11-2-4-12(22)5-3-11)25-18-13(20(28)29)6-7-15(26-18)14-8-23-19-17(14)27-16(21)9-24-19;1-10(11-4-3-5-12(6-11)28-2)25-18-14(21)8-23-17(27-18)13-7-22-19-16(13)26-15(20)9-24-19;1-9(10-3-2-4-11(27)5-10)24-17-13(20)7-22-16(26-17)12-6-21-18-15(12)25-14(19)8-23-18/h4-6,9-13H,7-8H2,1-3H3,(H,25,27)(H,26,28,30);2-10H,1H3,(H2,23,29)(H,24,25)(H,26,27);2-10H,1H3,(H,23,24)(H,25,26)(H,28,29);3-10H,1-2H3,(H,22,24)(H,23,25,27);2-9,27H,1H3,(H,21,23)(H,22,24,26)/t13-;3*10-;9-/m00000/s1.
What are the key properties of 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol?
2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 2062.22 g/mol, XLogP of 21.56, 27 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 158186906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).