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

C132H137ClF10N34O12 — CID 161379446

IUPAC6-[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
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5Cl)c4n3)cn2)C[C@H]1C.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5OC(F)F)c4n3)cn2)C[C@H]1C.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5nc(C)ccc5C(F)(F)F)c4c3)cn2)C[C@H]1C.C[C@@H]1C[C@@H](O)CCN1c1ncc(-c2ccc3c(=O)n(C)n(Cc4ccccc4OC(F)F)c3c2)cn1.Cc1ccc(C(F)(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)n1
InChIInChI=1S/C27H28F3N7O2.C27H29F2N7O3.C26H28ClN7O2.C26H25F3N8O2.C26H27F2N5O3/c1-16-5-8-22(27(28,29)30)23(33-16)15-37-24-11-19(6-7-21(24)25(39)34(37)4)20-12-31-26(32-13-20)35-9-10-36(18(3)38)17(2)14-35;1-16-5-8-23(39-26(28)29)19(11-16)15-36-24-21(25(38)33(36)4)6-7-22(32-24)20-12-30-27(31-13-20)34-9-10-35(18(3)37)17(2)14-34;1-16-5-7-22(27)19(11-16)15-34-24-21(25(36)31(34)4)6-8-23(30-24)20-12-28-26(29-13-20)32-9-10-33(18(3)35)17(2)14-32;1-15-3-6-20(26(27,28)29)21(33-15)14-37-22-9-16(4-5-19(22)23(38)34(37)2)17-10-30-24(31-11-17)35-7-8-36-18(13-35)12-32-25(36)39;1-16-11-20(34)9-10-32(16)26-29-13-19(14-30-26)17-7-8-21-22(12-17)33(31(2)24(21)35)15-18-5-3-4-6-23(18)36-25(27)28/h5-8,11-13,17H,9-10,14-15H2,1-4H3;5-8,11-13,17,26H,9-10,14-15H2,1-4H3;5-8,11-13,17H,9-10,14-15H2,1-4H3;3-6,9-11,18H,7-8,12-14H2,1-2H3,(H,32,39);3-8,12-14,16,20,25,34H,9-11,15H2,1-2H3/t3*17-;18-;16-,20+/m11101/s1
InChIKeyVRNIOJIKIYYCCX-YDLLFOBMSA-N
MW2617.21 g/mol
LogP16.67
Rot. Bonds24

About 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

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 (PubChem CID 161379446) has the molecular formula C132H137ClF10N34O12 and a molecular weight of 2617.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID161379446
Molecular FormulaC132H137ClF10N34O12
Molecular Weight2617.21 g/mol
Exact Mass2615.07
IUPAC Name6-[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
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5Cl)c4n3)cn2)C[C@H]1C.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5OC(F)F)c4n3)cn2)C[C@H]1C.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5nc(C)ccc5C(F)(F)F)c4c3)cn2)C[C@H]1C.C[C@@H]1C[C@@H](O)CCN1c1ncc(-c2ccc3c(=O)n(C)n(Cc4ccccc4OC(F)F)c3c2)cn1.Cc1ccc(C(F)(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)n1
InChIInChI=1S/C27H28F3N7O2.C27H29F2N7O3.C26H28ClN7O2.C26H25F3N8O2.C26H27F2N5O3/c1-16-5-8-22(27(28,29)30)23(33-16)15-37-24-11-19(6-7-21(24)25(39)34(37)4)20-12-31-26(32-13-20)35-9-10-36(18(3)38)17(2)14-35;1-16-5-8-23(39-26(28)29)19(11-16)15-36-24-21(25(38)33(36)4)6-7-22(32-24)20-12-30-27(31-13-20)34-9-10-35(18(3)37)17(2)14-34;1-16-5-7-22(27)19(11-16)15-34-24-21(25(36)31(34)4)6-8-23(30-24)20-12-28-26(29-13-20)32-9-10-33(18(3)35)17(2)14-32;1-15-3-6-20(26(27,28)29)21(33-15)14-37-22-9-16(4-5-19(22)23(38)34(37)2)17-10-30-24(31-11-17)35-7-8-36-18(13-35)12-32-25(36)39;1-16-11-20(34)9-10-32(16)26-29-13-19(14-30-26)17-7-8-21-22(12-17)33(31(2)24(21)35)15-18-5-3-4-6-23(18)36-25(27)28/h5-8,11-13,17H,9-10,14-15H2,1-4H3;5-8,11-13,17,26H,9-10,14-15H2,1-4H3;5-8,11-13,17H,9-10,14-15H2,1-4H3;3-6,9-11,18H,7-8,12-14H2,1-2H3,(H,32,39);3-8,12-14,16,20,25,34H,9-11,15H2,1-2H3/t3*17-;18-;16-,20+/m11101/s1
InChIKeyVRNIOJIKIYYCCX-YDLLFOBMSA-N
XLogP16.67
TPSA463.27 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002617.21
LogP ≤ 516.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze 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 with MolForge

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Related Compounds

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
6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]methyl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-6-[2-(1-hydroxyethyl)-3,6-dihydro-2H-pyran-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-6-[2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-2-methylindazol-3-one;6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1-[[1-[(4-methoxy-2H-pyrrol-5-yl)methyl]-4-(trifluoromethyl)pyrrol-3-yl]methyl]-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 157366380
(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
6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(3,6-dimethyl-2-pyridinyl)methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(3,6-dimethyl-2-pyridinyl)methyl]-2-methylpyrazolo[3,4-b]pyridin-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[3-(1-fluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylindazol-3-one;(8aS)-7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrazol-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-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(2-hydroxyphenyl)methyl]-2-methyl-3-oxoindazole-7-carbonitrile
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N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide
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N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-methoxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(propan-2-ylamino)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethylamino)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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(8aR)-7-[5-[2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[5-[1-[[2-(1-fluoroethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]pyrrolidine-3-carboxamide;4-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-4-hydroxypiperidine-1-carbaldehyde;6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]indazol-3-one;6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methyl-1-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methyl]indazol-3-one
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(5-chloro-2-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-methoxy-5-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-3-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 159571045
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
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[5-amino-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;4-methyl-N-[6-(methylamino)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 160033376
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methylphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 160749355

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5Cl)c4n3)cn2)C[C@H]1C.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5OC(F)F)c4n3)cn2)C[C@H]1C.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5nc(C)ccc5C(F)(F)F)c4c3)cn2)C[C@H]1C.C[C@@H]1C[C@@H](O)CCN1c1ncc(-c2ccc3c(=O)n(C)n(Cc4ccccc4OC(F)F)c3c2)cn1.Cc1ccc(C(F)(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)n1.
What is the InChIKey of 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?
The InChIKey is VRNIOJIKIYYCCX-YDLLFOBMSA-N. The full InChI is InChI=1S/C27H28F3N7O2.C27H29F2N7O3.C26H28ClN7O2.C26H25F3N8O2.C26H27F2N5O3/c1-16-5-8-22(27(28,29)30)23(33-16)15-37-24-11-19(6-7-21(24)25(39)34(37)4)20-12-31-26(32-13-20)35-9-10-36(18(3)38)17(2)14-35;1-16-5-8-23(39-26(28)29)19(11-16)15-36-24-21(25(38)33(36)4)6-7-22(32-24)20-12-30-27(31-13-20)34-9-10-35(18(3)37)17(2)14-34;1-16-5-7-22(27)19(11-16)15-34-24-21(25(36)31(34)4)6-8-23(30-24)20-12-28-26(29-13-20)32-9-10-33(18(3)35)17(2)14-32;1-15-3-6-20(26(27,28)29)21(33-15)14-37-22-9-16(4-5-19(22)23(38)34(37)2)17-10-30-24(31-11-17)35-7-8-36-18(13-35)12-32-25(36)39;1-16-11-20(34)9-10-32(16)26-29-13-19(14-30-26)17-7-8-21-22(12-17)33(31(2)24(21)35)15-18-5-3-4-6-23(18)36-25(27)28/h5-8,11-13,17H,9-10,14-15H2,1-4H3;5-8,11-13,17,26H,9-10,14-15H2,1-4H3;5-8,11-13,17H,9-10,14-15H2,1-4H3;3-6,9-11,18H,7-8,12-14H2,1-2H3,(H,32,39);3-8,12-14,16,20,25,34H,9-11,15H2,1-2H3/t3*17-;18-;16-,20+/m11101/s1.
What are the key properties of 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?
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 has a molecular weight of 2617.21 g/mol, XLogP of 16.67, 24 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161379446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).