2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol

C60H71F2N19O7S3 — CID 157317218

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(N2CCn3c(nnc3-c3ccc(F)cc3)C2)nc2c1S(=O)CC2.CCOC(=O)c1cn2c(n1)CN(c1nc3c(c(N[C@@H](CO)C(C)C)n1)S(=O)CC3)CC2.O=S1CCc2nc(N3CCn4ccnc4C3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C22H26FN7O2S.C20H28N6O4S.C18H17FN6OS/c1-13(2)17(12-31)24-20-19-16(7-10-33(19)32)25-22(26-20)29-8-9-30-18(11-29)27-28-21(30)14-3-5-15(23)6-4-14;1-4-30-19(28)14-9-25-6-7-26(10-16(25)21-14)20-23-13-5-8-31(29)17(13)18(24-20)22-15(11-27)12(2)3;19-12-2-1-3-13(10-12)21-17-16-14(4-9-27(16)26)22-18(23-17)25-8-7-24-6-5-20-15(24)11-25/h3-6,13,17,31H,7-12H2,1-2H3,(H,24,25,26);9,12,15,27H,4-8,10-11H2,1-3H3,(H,22,23,24);1-3,5-6,10H,4,7-9,11H2,(H,21,22,23)/t17-,33?;15-,31?;/m00./s1
InChIKeyBDSZJAQUQYNLLF-RMVSTHAXSA-N
MW1304.55 g/mol
LogP5.19
Rot. Bonds16

About 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 157317218) has the molecular formula C60H71F2N19O7S3 and a molecular weight of 1304.55 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID157317218
Molecular FormulaC60H71F2N19O7S3
Molecular Weight1304.55 g/mol
Exact Mass1303.49
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(N2CCn3c(nnc3-c3ccc(F)cc3)C2)nc2c1S(=O)CC2.CCOC(=O)c1cn2c(n1)CN(c1nc3c(c(N[C@@H](CO)C(C)C)n1)S(=O)CC3)CC2.O=S1CCc2nc(N3CCn4ccnc4C3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C22H26FN7O2S.C20H28N6O4S.C18H17FN6OS/c1-13(2)17(12-31)24-20-19-16(7-10-33(19)32)25-22(26-20)29-8-9-30-18(11-29)27-28-21(30)14-3-5-15(23)6-4-14;1-4-30-19(28)14-9-25-6-7-26(10-16(25)21-14)20-23-13-5-8-31(29)17(13)18(24-20)22-15(11-27)12(2)3;19-12-2-1-3-13(10-12)21-17-16-14(4-9-27(16)26)22-18(23-17)25-8-7-24-6-5-20-15(24)11-25/h3-6,13,17,31H,7-12H2,1-2H3,(H,24,25,26);9,12,15,27H,4-8,10-11H2,1-3H3,(H,22,23,24);1-3,5-6,10H,4,7-9,11H2,(H,21,22,23)/t17-,33?;15-,31?;/m00./s1
InChIKeyBDSZJAQUQYNLLF-RMVSTHAXSA-N
XLogP5.19
TPSA307.47 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001304.55
LogP ≤ 55.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide
CID 157133729
(2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;ethyl 7-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(5S)-1-methyl-5-[[2-[3-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one
CID 158945666
(2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 159100423
(2R)-2-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;ethyl 7-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(5S)-1-methyl-5-[[2-[3-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 159382503
(2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 161632836

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 157317218) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is CC(C)[C@H](CO)Nc1nc(N2CCn3c(nnc3-c3ccc(F)cc3)C2)nc2c1S(=O)CC2.CCOC(=O)c1cn2c(n1)CN(c1nc3c(c(N[C@@H](CO)C(C)C)n1)S(=O)CC3)CC2.O=S1CCc2nc(N3CCn4ccnc4C3)nc(Nc3cccc(F)c3)c21.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is BDSZJAQUQYNLLF-RMVSTHAXSA-N. The full InChI is InChI=1S/C22H26FN7O2S.C20H28N6O4S.C18H17FN6OS/c1-13(2)17(12-31)24-20-19-16(7-10-33(19)32)25-22(26-20)29-8-9-30-18(11-29)27-28-21(30)14-3-5-15(23)6-4-14;1-4-30-19(28)14-9-25-6-7-26(10-16(25)21-14)20-23-13-5-8-31(29)17(13)18(24-20)22-15(11-27)12(2)3;19-12-2-1-3-13(10-12)21-17-16-14(4-9-27(16)26)22-18(23-17)25-8-7-24-6-5-20-15(24)11-25/h3-6,13,17,31H,7-12H2,1-2H3,(H,24,25,26);9,12,15,27H,4-8,10-11H2,1-3H3,(H,22,23,24);1-3,5-6,10H,4,7-9,11H2,(H,21,22,23)/t17-,33?;15-,31?;/m00./s1.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 1304.55 g/mol, XLogP of 5.19, 16 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 157317218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).