2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C201H224Cl8F2N42O14S2 — CID 157182671

IUPAC2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(NC4CCCCC4)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(NC4CCOCC4)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(Nc4ccc(F)cc4)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(Nc4ccc(N5CCN(C(C)C)CC5)cc4Cl)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5)cc4Cl)ncc3C)cc2C1=O.Cc1cccc([C@@H](CO)N2CCn3cc(-c4nc(NC5CCN(S(C)(=O)=O)CC5)ncc4C)cc3C2=O)c1.Cc1cnc(NC2CCOCC2)nc1-c1cc2n(c1)CCN(C(c1ccc(Cl)c(F)c1)c1cnn(C)c1)C2=O
InChIInChI=1S/C34H39Cl2N7O.C32H35Cl2N7O3S.C28H29ClFN7O2.C27H25ClFN5O.C27H32ClN5O.C27H34N6O4S.C26H30ClN5O2/c1-5-30(24-7-6-8-26(35)17-24)43-16-15-42-21-25(18-31(42)33(43)44)32-23(4)20-37-34(39-32)38-29-10-9-27(19-28(29)36)41-13-11-40(12-14-41)22(2)3;1-4-28(22-6-5-7-24(33)16-22)41-15-12-39-20-23(17-29(39)31(41)42)30-21(2)19-35-32(37-30)36-27-9-8-25(18-26(27)34)38-10-13-40(14-11-38)45(3,43)44;1-17-13-31-28(33-21-5-9-39-10-6-21)34-25(17)19-12-24-27(38)37(8-7-36(24)16-19)26(20-14-32-35(2)15-20)18-3-4-22(29)23(30)11-18;1-3-23(18-5-4-6-20(28)13-18)34-12-11-33-16-19(14-24(33)26(34)35)25-17(2)15-30-27(32-25)31-22-9-7-21(29)8-10-22;1-3-23(19-8-7-9-21(28)14-19)33-13-12-32-17-20(15-24(32)26(33)34)25-18(2)16-29-27(31-25)30-22-10-5-4-6-11-22;1-18-5-4-6-20(13-18)24(17-34)33-12-11-31-16-21(14-23(31)26(33)35)25-19(2)15-28-27(30-25)29-22-7-9-32(10-8-22)38(3,36)37;1-3-22(18-5-4-6-20(27)13-18)32-10-9-31-16-19(14-23(31)25(32)33)24-17(2)15-28-26(30-24)29-21-7-11-34-12-8-21/h6-10,17-22,30H,5,11-16H2,1-4H3,(H,37,38,39);5-9,16-20,28H,4,10-15H2,1-3H3,(H,35,36,37);3-4,11-16,21,26H,5-10H2,1-2H3,(H,31,33,34);4-10,13-16,23H,3,11-12H2,1-2H3,(H,30,31,32);7-9,14-17,22-23H,3-6,10-13H2,1-2H3,(H,29,30,31);4-6,13-16,22,24,34H,7-12,17H2,1-3H3,(H,28,29,30);4-6,13-16,21-22H,3,7-12H2,1-2H3,(H,28,29,30)/t30-;28-;;2*23-;24-;22-/m11.1111/s1
InChIKeyAOTBCIYJNJGBKF-HHIRQNKWSA-N
MW3838.04 g/mol
LogP38.40
Rot. Bonds47

About 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 157182671) has the molecular formula C201H224Cl8F2N42O14S2 and a molecular weight of 3838.04 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID157182671
Molecular FormulaC201H224Cl8F2N42O14S2
Molecular Weight3838.04 g/mol
Exact Mass3831.50
IUPAC Name2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(NC4CCCCC4)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(NC4CCOCC4)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(Nc4ccc(F)cc4)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(Nc4ccc(N5CCN(C(C)C)CC5)cc4Cl)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5)cc4Cl)ncc3C)cc2C1=O.Cc1cccc([C@@H](CO)N2CCn3cc(-c4nc(NC5CCN(S(C)(=O)=O)CC5)ncc4C)cc3C2=O)c1.Cc1cnc(NC2CCOCC2)nc1-c1cc2n(c1)CCN(C(c1ccc(Cl)c(F)c1)c1cnn(C)c1)C2=O
InChIInChI=1S/C34H39Cl2N7O.C32H35Cl2N7O3S.C28H29ClFN7O2.C27H25ClFN5O.C27H32ClN5O.C27H34N6O4S.C26H30ClN5O2/c1-5-30(24-7-6-8-26(35)17-24)43-16-15-42-21-25(18-31(42)33(43)44)32-23(4)20-37-34(39-32)38-29-10-9-27(19-28(29)36)41-13-11-40(12-14-41)22(2)3;1-4-28(22-6-5-7-24(33)16-22)41-15-12-39-20-23(17-29(39)31(41)42)30-21(2)19-35-32(37-30)36-27-9-8-25(18-26(27)34)38-10-13-40(14-11-38)45(3,43)44;1-17-13-31-28(33-21-5-9-39-10-6-21)34-25(17)19-12-24-27(38)37(8-7-36(24)16-19)26(20-14-32-35(2)15-20)18-3-4-22(29)23(30)11-18;1-3-23(18-5-4-6-20(28)13-18)34-12-11-33-16-19(14-24(33)26(34)35)25-17(2)15-30-27(32-25)31-22-9-7-21(29)8-10-22;1-3-23(19-8-7-9-21(28)14-19)33-13-12-32-17-20(15-24(32)26(33)34)25-18(2)16-29-27(31-25)30-22-10-5-4-6-11-22;1-18-5-4-6-20(13-18)24(17-34)33-12-11-31-16-21(14-23(31)26(33)35)25-19(2)15-28-27(30-25)29-22-7-9-32(10-8-22)38(3,36)37;1-3-22(18-5-4-6-20(27)13-18)32-10-9-31-16-19(14-23(31)25(32)33)24-17(2)15-28-26(30-24)29-21-7-11-34-12-8-21/h6-10,17-22,30H,5,11-16H2,1-4H3,(H,37,38,39);5-9,16-20,28H,4,10-15H2,1-3H3,(H,35,36,37);3-4,11-16,21,26H,5-10H2,1-2H3,(H,31,33,34);4-10,13-16,23H,3,11-12H2,1-2H3,(H,30,31,32);7-9,14-17,22-23H,3-6,10-13H2,1-2H3,(H,29,30,31);4-6,13-16,22,24,34H,7-12,17H2,1-3H3,(H,28,29,30);4-6,13-16,21-22H,3,7-12H2,1-2H3,(H,28,29,30)/t30-;28-;;2*23-;24-;22-/m11.1111/s1
InChIKeyAOTBCIYJNJGBKF-HHIRQNKWSA-N
XLogP38.40
TPSA582.34 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds47
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003838.04
LogP ≤ 538.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Analyze 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 157182671) is 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(NC4CCCCC4)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(NC4CCOCC4)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(Nc4ccc(F)cc4)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(Nc4ccc(N5CCN(C(C)C)CC5)cc4Cl)ncc3C)cc2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCn2cc(-c3nc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5)cc4Cl)ncc3C)cc2C1=O.Cc1cccc([C@@H](CO)N2CCn3cc(-c4nc(NC5CCN(S(C)(=O)=O)CC5)ncc4C)cc3C2=O)c1.Cc1cnc(NC2CCOCC2)nc1-c1cc2n(c1)CCN(C(c1ccc(Cl)c(F)c1)c1cnn(C)c1)C2=O.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is AOTBCIYJNJGBKF-HHIRQNKWSA-N. The full InChI is InChI=1S/C34H39Cl2N7O.C32H35Cl2N7O3S.C28H29ClFN7O2.C27H25ClFN5O.C27H32ClN5O.C27H34N6O4S.C26H30ClN5O2/c1-5-30(24-7-6-8-26(35)17-24)43-16-15-42-21-25(18-31(42)33(43)44)32-23(4)20-37-34(39-32)38-29-10-9-27(19-28(29)36)41-13-11-40(12-14-41)22(2)3;1-4-28(22-6-5-7-24(33)16-22)41-15-12-39-20-23(17-29(39)31(41)42)30-21(2)19-35-32(37-30)36-27-9-8-25(18-26(27)34)38-10-13-40(14-11-38)45(3,43)44;1-17-13-31-28(33-21-5-9-39-10-6-21)34-25(17)19-12-24-27(38)37(8-7-36(24)16-19)26(20-14-32-35(2)15-20)18-3-4-22(29)23(30)11-18;1-3-23(18-5-4-6-20(28)13-18)34-12-11-33-16-19(14-24(33)26(34)35)25-17(2)15-30-27(32-25)31-22-9-7-21(29)8-10-22;1-3-23(19-8-7-9-21(28)14-19)33-13-12-32-17-20(15-24(32)26(33)34)25-18(2)16-29-27(31-25)30-22-10-5-4-6-11-22;1-18-5-4-6-20(13-18)24(17-34)33-12-11-31-16-21(14-23(31)26(33)35)25-19(2)15-28-27(30-25)29-22-7-9-32(10-8-22)38(3,36)37;1-3-22(18-5-4-6-20(27)13-18)32-10-9-31-16-19(14-23(31)25(32)33)24-17(2)15-28-26(30-24)29-21-7-11-34-12-8-21/h6-10,17-22,30H,5,11-16H2,1-4H3,(H,37,38,39);5-9,16-20,28H,4,10-15H2,1-3H3,(H,35,36,37);3-4,11-16,21,26H,5-10H2,1-2H3,(H,31,33,34);4-10,13-16,23H,3,11-12H2,1-2H3,(H,30,31,32);7-9,14-17,22-23H,3-6,10-13H2,1-2H3,(H,29,30,31);4-6,13-16,22,24,34H,7-12,17H2,1-3H3,(H,28,29,30);4-6,13-16,21-22H,3,7-12H2,1-2H3,(H,28,29,30)/t30-;28-;;2*23-;24-;22-/m11.1111/s1.
What are the key properties of 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 3838.04 g/mol, XLogP of 38.40, 47 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;7-[2-[2-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-7-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 157182671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).