N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide

C132H133Cl5N38O6S5 — CID 159222645

IUPACN-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide
SMILESCc1nc(C(=O)NC2CCCC(Nc3cc(-c4cccs4)nc(-c4c[nH]c5ncc(Cl)nc45)n3)C2)cs1.Cn1cnc(C(=O)NC2CCCC(Nc3cc(-c4cccs4)nc(-c4c[nH]c5ncc(Cl)nc45)n3)C2)c1.O=C(NC1CCCC(Cc2cc(-c3cc4ccccc4s3)nc(-c3c[nH]c4ncc(Cl)nc34)n2)C1)N1CCCC1.O=C(NC1CCCC(Cc2cc(-c3ccco3)nc(-c3c[nH]c4ncc(Cl)nc34)n2)C1)N1CCCC1.O=C(NC1CCCC(Cc2cc(-c3cccs3)nc(-c3c[nH]c4ncc(Cl)nc34)n2)C1)N1CCCC1
InChIInChI=1S/C30H30ClN7OS.C26H28ClN7O2.C26H28ClN7OS.C25H24ClN9OS.C25H23ClN8OS2/c31-26-17-33-29-27(37-26)22(16-32-29)28-34-21(15-23(36-28)25-14-19-7-1-2-9-24(19)40-25)13-18-6-5-8-20(12-18)35-30(39)38-10-3-4-11-38;2*27-22-15-29-25-23(33-22)19(14-28-25)24-30-18(13-20(32-24)21-7-4-10-36-21)12-16-5-3-6-17(11-16)31-26(35)34-8-1-2-9-34;1-35-12-18(29-13-35)25(36)31-15-5-2-4-14(8-15)30-21-9-17(19-6-3-7-37-19)32-23(34-21)16-10-27-24-22(16)33-20(26)11-28-24;1-13-29-18(12-37-13)25(35)31-15-5-2-4-14(8-15)30-21-9-17(19-6-3-7-36-19)32-23(34-21)16-10-27-24-22(16)33-20(26)11-28-24/h1-2,7,9,14-18,20H,3-6,8,10-13H2,(H,32,33)(H,35,39);2*4,7,10,13-17H,1-3,5-6,8-9,11-12H2,(H,28,29)(H,31,35);3,6-7,9-15H,2,4-5,8H2,1H3,(H,27,28)(H,31,36)(H,30,32,34);3,6-7,9-12,14-15H,2,4-5,8H2,1H3,(H,27,28)(H,31,35)(H,30,32,34)
InChIKeyKRWTVODUGVFCFG-UHFFFAOYSA-N
MW2685.38 g/mol
LogP28.19
Rot. Bonds27

About N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide

N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 159222645) has the molecular formula C132H133Cl5N38O6S5 and a molecular weight of 2685.38 g/mol. Its IUPAC name is N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide
PubChem CID159222645
Molecular FormulaC132H133Cl5N38O6S5
Molecular Weight2685.38 g/mol
Exact Mass2680.83
IUPAC NameN-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide
SMILESCc1nc(C(=O)NC2CCCC(Nc3cc(-c4cccs4)nc(-c4c[nH]c5ncc(Cl)nc45)n3)C2)cs1.Cn1cnc(C(=O)NC2CCCC(Nc3cc(-c4cccs4)nc(-c4c[nH]c5ncc(Cl)nc45)n3)C2)c1.O=C(NC1CCCC(Cc2cc(-c3cc4ccccc4s3)nc(-c3c[nH]c4ncc(Cl)nc34)n2)C1)N1CCCC1.O=C(NC1CCCC(Cc2cc(-c3ccco3)nc(-c3c[nH]c4ncc(Cl)nc34)n2)C1)N1CCCC1.O=C(NC1CCCC(Cc2cc(-c3cccs3)nc(-c3c[nH]c4ncc(Cl)nc34)n2)C1)N1CCCC1
InChIInChI=1S/C30H30ClN7OS.C26H28ClN7O2.C26H28ClN7OS.C25H24ClN9OS.C25H23ClN8OS2/c31-26-17-33-29-27(37-26)22(16-32-29)28-34-21(15-23(36-28)25-14-19-7-1-2-9-24(19)40-25)13-18-6-5-8-20(12-18)35-30(39)38-10-3-4-11-38;2*27-22-15-29-25-23(33-22)19(14-28-25)24-30-18(13-20(32-24)21-7-4-10-36-21)12-16-5-3-6-17(11-16)31-26(35)34-8-1-2-9-34;1-35-12-18(29-13-35)25(36)31-15-5-2-4-14(8-15)30-21-9-17(19-6-3-7-37-19)32-23(34-21)16-10-27-24-22(16)33-20(26)11-28-24;1-13-29-18(12-37-13)25(35)31-15-5-2-4-14(8-15)30-21-9-17(19-6-3-7-36-19)32-23(34-21)16-10-27-24-22(16)33-20(26)11-28-24/h1-2,7,9,14-18,20H,3-6,8,10-13H2,(H,32,33)(H,35,39);2*4,7,10,13-17H,1-3,5-6,8-9,11-12H2,(H,28,29)(H,31,35);3,6-7,9-15H,2,4-5,8H2,1H3,(H,27,28)(H,31,36)(H,30,32,34);3,6-7,9-12,14-15H,2,4-5,8H2,1H3,(H,27,28)(H,31,35)(H,30,32,34)
InChIKeyKRWTVODUGVFCFG-UHFFFAOYSA-N
XLogP28.19
TPSA559.88 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds27
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002685.38
LogP ≤ 528.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-[2-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157655987
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
CID 159812037
CID 159812037
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 161678402
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91153354
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91229474
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;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;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
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CID 123776950
1-benzofuran;1-benzothiophene;furo[2,3-b]pyridine;furo[2,3-c]pyridazine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;bis(imidazo[1,2-a]pyrazine);imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 157053356
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CID 157073722
2-chloro-7-[4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(5-cyclopropylthiophen-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;[5-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrimidin-4-yl]furan-2-yl] formate;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine
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1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 157161981

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide (CID 159222645) is N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide is Cc1nc(C(=O)NC2CCCC(Nc3cc(-c4cccs4)nc(-c4c[nH]c5ncc(Cl)nc45)n3)C2)cs1.Cn1cnc(C(=O)NC2CCCC(Nc3cc(-c4cccs4)nc(-c4c[nH]c5ncc(Cl)nc45)n3)C2)c1.O=C(NC1CCCC(Cc2cc(-c3cc4ccccc4s3)nc(-c3c[nH]c4ncc(Cl)nc34)n2)C1)N1CCCC1.O=C(NC1CCCC(Cc2cc(-c3ccco3)nc(-c3c[nH]c4ncc(Cl)nc34)n2)C1)N1CCCC1.O=C(NC1CCCC(Cc2cc(-c3cccs3)nc(-c3c[nH]c4ncc(Cl)nc34)n2)C1)N1CCCC1.
What is the InChIKey of N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is KRWTVODUGVFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN7OS.C26H28ClN7O2.C26H28ClN7OS.C25H24ClN9OS.C25H23ClN8OS2/c31-26-17-33-29-27(37-26)22(16-32-29)28-34-21(15-23(36-28)25-14-19-7-1-2-9-24(19)40-25)13-18-6-5-8-20(12-18)35-30(39)38-10-3-4-11-38;2*27-22-15-29-25-23(33-22)19(14-28-25)24-30-18(13-20(32-24)21-7-4-10-36-21)12-16-5-3-6-17(11-16)31-26(35)34-8-1-2-9-34;1-35-12-18(29-13-35)25(36)31-15-5-2-4-14(8-15)30-21-9-17(19-6-3-7-37-19)32-23(34-21)16-10-27-24-22(16)33-20(26)11-28-24;1-13-29-18(12-37-13)25(35)31-15-5-2-4-14(8-15)30-21-9-17(19-6-3-7-36-19)32-23(34-21)16-10-27-24-22(16)33-20(26)11-28-24/h1-2,7,9,14-18,20H,3-6,8,10-13H2,(H,32,33)(H,35,39);2*4,7,10,13-17H,1-3,5-6,8-9,11-12H2,(H,28,29)(H,31,35);3,6-7,9-15H,2,4-5,8H2,1H3,(H,27,28)(H,31,36)(H,30,32,34);3,6-7,9-12,14-15H,2,4-5,8H2,1H3,(H,27,28)(H,31,35)(H,30,32,34).
What are the key properties of N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide?
N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 2685.38 g/mol, XLogP of 28.19, 27 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(1-benzothiophen-2-yl)-2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 159222645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).