(8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one

C128H130F7N27O15 — CID 158586398

IUPAC(8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one
SMILESCC(F)Oc1ccccc1Cn1c2cc(-c3ccnc(N4CCOCC4)c3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnn(C4CCOCC4)c3)ccc2c(=O)n1C.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2n1Cc1ccccc1OC(F)F.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/2C26H25F2N7O3.C26H27FN4O3.C25H26FN5O3.C25H27FN4O3/c2*1-32-23(36)20-7-6-16(10-21(20)35(32)14-17-4-2-3-5-22(17)38-24(27)28)18-11-29-25(30-12-18)33-8-9-34-19(15-33)13-31-26(34)37;1-18(27)34-24-6-4-3-5-21(24)17-31-23-15-19(7-8-22(23)26(32)29(31)2)20-9-10-28-25(16-20)30-11-13-33-14-12-30;1-17(26)34-23-6-4-3-5-19(23)16-31-22-13-18(7-8-21(22)24(32)29(31)2)20-14-27-25(28-15-20)30-9-11-33-12-10-30;1-17(26)33-24-6-4-3-5-19(24)16-30-23-13-18(7-8-22(23)25(31)28(30)2)20-14-27-29(15-20)21-9-11-32-12-10-21/h2*2-7,10-12,19,24H,8-9,13-15H2,1H3,(H,31,37);3-10,15-16,18H,11-14,17H2,1-2H3;3-8,13-15,17H,9-12,16H2,1-2H3;3-8,13-15,17,21H,9-12,16H2,1-2H3/t2*19-;;;/m10.../s1
InChIKeyHTWLWSOIKWXXEC-UEWDSPRVSA-N
MW2419.61 g/mol
LogP16.98
Rot. Bonds30

About (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one

(8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one (PubChem CID 158586398) has the molecular formula C128H130F7N27O15 and a molecular weight of 2419.61 g/mol. Its IUPAC name is (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one.

Molecular Properties

Compound Name(8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one
PubChem CID158586398
Molecular FormulaC128H130F7N27O15
Molecular Weight2419.61 g/mol
Exact Mass2418.01
IUPAC Name(8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one
SMILESCC(F)Oc1ccccc1Cn1c2cc(-c3ccnc(N4CCOCC4)c3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnn(C4CCOCC4)c3)ccc2c(=O)n1C.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2n1Cc1ccccc1OC(F)F.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/2C26H25F2N7O3.C26H27FN4O3.C25H26FN5O3.C25H27FN4O3/c2*1-32-23(36)20-7-6-16(10-21(20)35(32)14-17-4-2-3-5-22(17)38-24(27)28)18-11-29-25(30-12-18)33-8-9-34-19(15-33)13-31-26(34)37;1-18(27)34-24-6-4-3-5-21(24)17-31-23-15-19(7-8-22(23)26(32)29(31)2)20-9-10-28-25(16-20)30-11-13-33-14-12-30;1-17(26)34-23-6-4-3-5-19(23)16-31-22-13-18(7-8-21(22)24(32)29(31)2)20-14-27-25(28-15-20)30-9-11-33-12-10-30;1-17(26)33-24-6-4-3-5-19(24)16-30-23-13-18(7-8-22(23)25(31)28(30)2)20-14-27-29(15-20)21-9-11-32-12-10-21/h2*2-7,10-12,19,24H,8-9,13-15H2,1H3,(H,31,37);3-10,15-16,18H,11-14,17H2,1-2H3;3-8,13-15,17H,9-12,16H2,1-2H3;3-8,13-15,17,21H,9-12,16H2,1-2H3/t2*19-;;;/m10.../s1
InChIKeyHTWLWSOIKWXXEC-UEWDSPRVSA-N
XLogP16.98
TPSA394.18 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002419.61
LogP ≤ 516.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one with MolForge

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Related Compounds

Tris[2-[4-[5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]-2-oxoethyl] phosphate
CID 122621106
tris[2-[(2R)-4-[5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]-2-oxoethyl] phosphate
CID 122621501
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 157063478
3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073829
3-[4-[4-Amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073834
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-[(3-cyclopropyl-4-pyridinyl)methyl]-6-(2-methylphenoxy)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(5-pyrrolidin-3-ylpyridazin-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-pyridin-4-yl-3-pyridinyl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157222365
2-(2-acetylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157230794
N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-[1-(1-phenylethenyl)pyrrolidin-3-yl]-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 157254619
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157294464
1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(2-propan-2-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(difluoromethoxy)-5-morpholin-4-ylphenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[1-[(4-ethyl-3-pyridinyl)methyl]-4-(trifluoromethyl)pyrrol-3-yl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1-[[1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrrol-3-yl]methyl]indazol-3-one
CID 157304080

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one?
The IUPAC name of (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one (CID 158586398) is (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one.
What is the SMILES notation for (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one?
The canonical SMILES for (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one is CC(F)Oc1ccccc1Cn1c2cc(-c3ccnc(N4CCOCC4)c3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnn(C4CCOCC4)c3)ccc2c(=O)n1C.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2n1Cc1ccccc1OC(F)F.Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@H]5C4)nc3)cc2n1Cc1ccccc1OC(F)F.
What is the InChIKey of (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one?
The InChIKey is HTWLWSOIKWXXEC-UEWDSPRVSA-N. The full InChI is InChI=1S/2C26H25F2N7O3.C26H27FN4O3.C25H26FN5O3.C25H27FN4O3/c2*1-32-23(36)20-7-6-16(10-21(20)35(32)14-17-4-2-3-5-22(17)38-24(27)28)18-11-29-25(30-12-18)33-8-9-34-19(15-33)13-31-26(34)37;1-18(27)34-24-6-4-3-5-21(24)17-31-23-15-19(7-8-22(23)26(32)29(31)2)20-9-10-28-25(16-20)30-11-13-33-14-12-30;1-17(26)34-23-6-4-3-5-19(23)16-31-22-13-18(7-8-21(22)24(32)29(31)2)20-14-27-25(28-15-20)30-9-11-33-12-10-30;1-17(26)33-24-6-4-3-5-19(24)16-30-23-13-18(7-8-22(23)25(31)28(30)2)20-14-27-29(15-20)21-9-11-32-12-10-21/h2*2-7,10-12,19,24H,8-9,13-15H2,1H3,(H,31,37);3-10,15-16,18H,11-14,17H2,1-2H3;3-8,13-15,17H,9-12,16H2,1-2H3;3-8,13-15,17,21H,9-12,16H2,1-2H3/t2*19-;;;/m10.../s1.
What are the key properties of (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one?
(8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one has a molecular weight of 2419.61 g/mol, XLogP of 16.98, 30 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[5-[1-[[2-(difluoromethoxy)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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]indazol-3-one is sourced from PubChem (CID 158586398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).