(8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C132H126Cl2F11N37O11 — CID 157420323

IUPAC(8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccc(C(F)(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)c1.Cc1cnc(C(F)(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)c1.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1c(Cl)ccc2c1COC2.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1cc(Cl)ccc1C(C)(F)F.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C27H26ClF2N7O2.C27H26ClN7O3.C27H26F3N7O2.C26H25F3N8O2.C25H23F3N8O2/c1-27(29,30)22-6-4-19(28)9-17(22)14-37-23-10-16(3-5-21(23)24(38)34(37)2)18-11-31-25(32-12-18)35-7-8-36-20(15-35)13-33-26(36)39;1-32-25(36)20-4-2-16(8-24(20)35(32)13-21-22-15-38-14-17(22)3-5-23(21)28)18-9-29-26(30-10-18)33-6-7-34-19(12-33)11-31-27(34)37;1-16-3-6-22(27(28,29)30)18(9-16)14-37-23-10-17(4-5-21(23)24(38)34(37)2)19-11-31-25(32-12-19)35-7-8-36-20(15-35)13-33-26(36)39;1-15-7-17(22(30-9-15)26(27,28)29)13-37-21-8-16(3-4-20(21)23(38)34(37)2)18-10-31-24(32-11-18)35-5-6-36-19(14-35)12-33-25(36)39;1-33-22(37)19-5-4-15(9-20(19)36(33)13-16-3-2-6-29-21(16)25(26,27)28)17-10-30-23(31-11-17)34-7-8-35-18(14-34)12-32-24(35)38/h3-6,9-12,20H,7-8,13-15H2,1-2H3,(H,33,39);2-5,8-10,19H,6-7,11-15H2,1H3,(H,31,37);3-6,9-12,20H,7-8,13-15H2,1-2H3,(H,33,39);3-4,7-11,19H,5-6,12-14H2,1-2H3,(H,33,39);2-6,9-11,18H,7-8,12-14H2,1H3,(H,32,38)/t20-;19-;20-;19-;18-/m00000/s1
InChIKeyBPIFJTINZISQIL-SXZHSKLFSA-N
MW2686.59 g/mol
LogP15.21
Rot. Bonds21

About (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 157420323) has the molecular formula C132H126Cl2F11N37O11 and a molecular weight of 2686.59 g/mol. Its IUPAC name is (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID157420323
Molecular FormulaC132H126Cl2F11N37O11
Molecular Weight2686.59 g/mol
Exact Mass2683.96
IUPAC Name(8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccc(C(F)(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)c1.Cc1cnc(C(F)(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)c1.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1c(Cl)ccc2c1COC2.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1cc(Cl)ccc1C(C)(F)F.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C27H26ClF2N7O2.C27H26ClN7O3.C27H26F3N7O2.C26H25F3N8O2.C25H23F3N8O2/c1-27(29,30)22-6-4-19(28)9-17(22)14-37-23-10-16(3-5-21(23)24(38)34(37)2)18-11-31-25(32-12-18)35-7-8-36-20(15-35)13-33-26(36)39;1-32-25(36)20-4-2-16(8-24(20)35(32)13-21-22-15-38-14-17(22)3-5-23(21)28)18-9-29-26(30-10-18)33-6-7-34-19(12-33)11-31-27(34)37;1-16-3-6-22(27(28,29)30)18(9-16)14-37-23-10-17(4-5-21(23)24(38)34(37)2)19-11-31-25(32-12-19)35-7-8-36-20(15-35)13-33-26(36)39;1-15-7-17(22(30-9-15)26(27,28)29)13-37-21-8-16(3-4-20(21)23(38)34(37)2)18-10-31-24(32-11-18)35-5-6-36-19(14-35)12-33-25(36)39;1-33-22(37)19-5-4-15(9-20(19)36(33)13-16-3-2-6-29-21(16)25(26,27)28)17-10-30-23(31-11-17)34-7-8-35-18(14-34)12-32-24(35)38/h3-6,9-12,20H,7-8,13-15H2,1-2H3,(H,33,39);2-5,8-10,19H,6-7,11-15H2,1H3,(H,31,37);3-6,9-12,20H,7-8,13-15H2,1-2H3,(H,33,39);3-4,7-11,19H,5-6,12-14H2,1-2H3,(H,33,39);2-6,9-11,18H,7-8,12-14H2,1H3,(H,32,38)/t20-;19-;20-;19-;18-/m00000/s1
InChIKeyBPIFJTINZISQIL-SXZHSKLFSA-N
XLogP15.21
TPSA476.46 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds21
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002686.59
LogP ≤ 515.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(1-acetyl-4-methylpyrrol-3-yl)methyl]-2-methylindazol-3-one;(8aS)-7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;6-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;1-[[2-chloro-5-(3,3-dimethylbutyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one
CID 159999923
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(2-chloro-5-methylphenyl)methyl]-2-methylpyrazolo[3,4-b]pyridin-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylpyrazolo[3,4-b]pyridin-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]indazol-3-one;(8aS)-7-[5-[2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-[(2R,4S)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one
CID 161379446
(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122620972
7-[5-[1-[(5-Chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122620973
bis([(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-5-methylphenyl)methanone);[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,5-dimethylimidazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylindol-6-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 158284932
bis([(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-5-methylphenyl)methanone);[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,5-dimethyltriazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylindol-6-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 158693396
7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
CID 158987171
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(2-chlorophenyl)methyl]-2-(pyridin-4-ylmethyl)indazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyridin-4-ylmethyl)indazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[(5-methylcyclopenta-1,4-dien-1-yl)methyl]indazol-3-one;1-[[2-(difluoromethoxy)-5-ethylphenyl]methyl]-2-methyl-6-[2-[[(4R)-1-methyl-2-oxopiperidin-4-yl]amino]pyrimidin-5-yl]indazol-3-one
CID 159066359
1-[(4-Chloro-3-pyridinyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3,6-dichloro-2-pyridinyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,5-dimethylphenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)-5-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
CID 160271888
1-(6-tert-butyl-2-pyridinyl)-6-(3,4-dihydro-1H-isochromen-7-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-(6-tert-butyl-2-pyridinyl)-6-[[2-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-(6-tert-butyl-2-pyridinyl)-6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;7-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one;1-(6-tert-butyl-2-pyridinyl)-6-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-(6-tert-butyl-2-pyridinyl)-2-prop-2-enyl-6-[[2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]pyrazolo[3,4-d]pyrimidin-3-one
CID 160575999
bis([(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-5-methylphenyl)methanone);[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,5-dimethyltriazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylindol-6-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 161500610
bis([(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-5-methylphenyl)methanone);[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,5-dimethyltriazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylindol-6-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 161836568

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 157420323) is (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1ccc(C(F)(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)c1.Cc1cnc(C(F)(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)c1.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1c(Cl)ccc2c1COC2.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1cc(Cl)ccc1C(C)(F)F.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1cccnc1C(F)(F)F.
What is the InChIKey of (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is BPIFJTINZISQIL-SXZHSKLFSA-N. The full InChI is InChI=1S/C27H26ClF2N7O2.C27H26ClN7O3.C27H26F3N7O2.C26H25F3N8O2.C25H23F3N8O2/c1-27(29,30)22-6-4-19(28)9-17(22)14-37-23-10-16(3-5-21(23)24(38)34(37)2)18-11-31-25(32-12-18)35-7-8-36-20(15-35)13-33-26(36)39;1-32-25(36)20-4-2-16(8-24(20)35(32)13-21-22-15-38-14-17(22)3-5-23(21)28)18-9-29-26(30-10-18)33-6-7-34-19(12-33)11-31-27(34)37;1-16-3-6-22(27(28,29)30)18(9-16)14-37-23-10-17(4-5-21(23)24(38)34(37)2)19-11-31-25(32-12-19)35-7-8-36-20(15-35)13-33-26(36)39;1-15-7-17(22(30-9-15)26(27,28)29)13-37-21-8-16(3-4-20(21)23(38)34(37)2)18-10-31-24(32-11-18)35-5-6-36-19(14-35)12-33-25(36)39;1-33-22(37)19-5-4-15(9-20(19)36(33)13-16-3-2-6-29-21(16)25(26,27)28)17-10-30-23(31-11-17)34-7-8-35-18(14-34)12-32-24(35)38/h3-6,9-12,20H,7-8,13-15H2,1-2H3,(H,33,39);2-5,8-10,19H,6-7,11-15H2,1H3,(H,31,37);3-6,9-12,20H,7-8,13-15H2,1-2H3,(H,33,39);3-4,7-11,19H,5-6,12-14H2,1-2H3,(H,33,39);2-6,9-11,18H,7-8,12-14H2,1H3,(H,32,38)/t20-;19-;20-;19-;18-/m00000/s1.
What are the key properties of (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 2686.59 g/mol, XLogP of 15.21, 21 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-[5-[1-[[5-chloro-2-(1,1-difluoroethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[1-[(5-chloro-1,3-dihydro-2-benzofuran-4-yl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-1-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[2-methyl-3-oxo-1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 157420323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).