6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one

C141H155F5N24O19 — CID 157086492

IUPAC6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one
SMILESCC(=O)N1CCC(Oc2cc(-c3ccc4c(=O)n(C)n(Cc5ccccc5OC(C)F)c4c3)ccn2)CC1.CC(F)Oc1ccccc1Cn1c2cc(-c3ccnc(OC4CCOCC4)c3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CC[C@@H](O)C[C@H]4C)nc3)ccc2c(=O)n1C.Cc1nc(N2CCN(C(=O)CO)C[C@H]2C)ncc1-c1ccc2c(=O)n(C)n(Cc3ccccc3OC(C)F)c2c1.Cc1nc(N2CCN(C(=O)CO)[C@H](C)C2)ncc1-c1ccc2c(=O)n(C)n(Cc3ccccc3OC(C)F)c2c1
InChIInChI=1S/2C29H33FN6O4.C29H31FN4O4.C27H30FN5O3.C27H28FN3O4/c1-18-15-34(11-12-35(18)27(38)17-37)29-31-14-24(19(2)32-29)21-9-10-23-25(13-21)36(33(4)28(23)39)16-22-7-5-6-8-26(22)40-20(3)30;1-18-15-34(27(38)17-37)11-12-35(18)29-31-14-24(19(2)32-29)21-9-10-23-25(13-21)36(33(4)28(23)39)16-22-7-5-6-8-26(22)40-20(3)30;1-19(30)37-27-7-5-4-6-23(27)18-34-26-16-21(8-9-25(26)29(36)32(34)3)22-10-13-31-28(17-22)38-24-11-14-33(15-12-24)20(2)35;1-17-12-22(34)10-11-32(17)27-29-14-21(15-30-27)19-8-9-23-24(13-19)33(31(3)26(23)35)16-20-6-4-5-7-25(20)36-18(2)28;1-18(28)34-25-6-4-3-5-21(25)17-31-24-15-19(7-8-23(24)27(32)30(31)2)20-9-12-29-26(16-20)35-22-10-13-33-14-11-22/h2*5-10,13-14,18,20,37H,11-12,15-17H2,1-4H3;4-10,13,16-17,19,24H,11-12,14-15,18H2,1-3H3;4-9,13-15,17-18,22,34H,10-12,16H2,1-3H3;3-9,12,15-16,18,22H,10-11,13-14,17H2,1-2H3/t2*18-,20?;;17-,18?,22-;/m11.1./s1
InChIKeyAEDMFSCDCSOPME-ZVKVSMBCSA-N
MW2584.93 g/mol
LogP18.88
Rot. Bonds34

About 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one

6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one (PubChem CID 157086492) has the molecular formula C141H155F5N24O19 and a molecular weight of 2584.93 g/mol. Its IUPAC name is 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one.

Molecular Properties

Compound Name6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one
PubChem CID157086492
Molecular FormulaC141H155F5N24O19
Molecular Weight2584.93 g/mol
Exact Mass2583.18
IUPAC Name6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one
SMILESCC(=O)N1CCC(Oc2cc(-c3ccc4c(=O)n(C)n(Cc5ccccc5OC(C)F)c4c3)ccn2)CC1.CC(F)Oc1ccccc1Cn1c2cc(-c3ccnc(OC4CCOCC4)c3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CC[C@@H](O)C[C@H]4C)nc3)ccc2c(=O)n1C.Cc1nc(N2CCN(C(=O)CO)C[C@H]2C)ncc1-c1ccc2c(=O)n(C)n(Cc3ccccc3OC(C)F)c2c1.Cc1nc(N2CCN(C(=O)CO)[C@H](C)C2)ncc1-c1ccc2c(=O)n(C)n(Cc3ccccc3OC(C)F)c2c1
InChIInChI=1S/2C29H33FN6O4.C29H31FN4O4.C27H30FN5O3.C27H28FN3O4/c1-18-15-34(11-12-35(18)27(38)17-37)29-31-14-24(19(2)32-29)21-9-10-23-25(13-21)36(33(4)28(23)39)16-22-7-5-6-8-26(22)40-20(3)30;1-18-15-34(27(38)17-37)11-12-35(18)29-31-14-24(19(2)32-29)21-9-10-23-25(13-21)36(33(4)28(23)39)16-22-7-5-6-8-26(22)40-20(3)30;1-19(30)37-27-7-5-4-6-23(27)18-34-26-16-21(8-9-25(26)29(36)32(34)3)22-10-13-31-28(17-22)38-24-11-14-33(15-12-24)20(2)35;1-17-12-22(34)10-11-32(17)27-29-14-21(15-30-27)19-8-9-23-24(13-19)33(31(3)26(23)35)16-20-6-4-5-7-25(20)36-18(2)28;1-18(28)34-25-6-4-3-5-21(25)17-31-24-15-19(7-8-23(24)27(32)30(31)2)20-9-12-29-26(16-20)35-22-10-13-33-14-11-22/h2*5-10,13-14,18,20,37H,11-12,15-17H2,1-4H3;4-10,13,16-17,19,24H,11-12,14-15,18H2,1-3H3;4-9,13-15,17-18,22,34H,10-12,16H2,1-3H3;3-9,12,15-16,18,22H,10-11,13-14,17H2,1-2H3/t2*18-,20?;;17-,18?,22-;/m11.1./s1
InChIKeyAEDMFSCDCSOPME-ZVKVSMBCSA-N
XLogP18.88
TPSA442.95 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds34
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002584.93
LogP ≤ 518.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Analyze 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]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
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
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-benzylpyrazol-4-yl)-6-fluoroquinoline-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(5-methyl-2-pyridinyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 157608478
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
CID 157862665
[3-Fluoro-2-(triazol-2-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158749843
(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
CID 159184212
[2-(5-Fluoropyrimidin-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-fluoro-6-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159639644
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
tert-butyl 4-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;(7S)-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(3-imidazol-1-ylpropyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(2-pyridin-2-ylethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 160333157
CID 161214542
CID 161214542

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one?
The IUPAC name of 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one (CID 157086492) is 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one.
What is the SMILES notation for 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one?
The canonical SMILES for 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one is CC(=O)N1CCC(Oc2cc(-c3ccc4c(=O)n(C)n(Cc5ccccc5OC(C)F)c4c3)ccn2)CC1.CC(F)Oc1ccccc1Cn1c2cc(-c3ccnc(OC4CCOCC4)c3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CC[C@@H](O)C[C@H]4C)nc3)ccc2c(=O)n1C.Cc1nc(N2CCN(C(=O)CO)C[C@H]2C)ncc1-c1ccc2c(=O)n(C)n(Cc3ccccc3OC(C)F)c2c1.Cc1nc(N2CCN(C(=O)CO)[C@H](C)C2)ncc1-c1ccc2c(=O)n(C)n(Cc3ccccc3OC(C)F)c2c1.
What is the InChIKey of 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one?
The InChIKey is AEDMFSCDCSOPME-ZVKVSMBCSA-N. The full InChI is InChI=1S/2C29H33FN6O4.C29H31FN4O4.C27H30FN5O3.C27H28FN3O4/c1-18-15-34(11-12-35(18)27(38)17-37)29-31-14-24(19(2)32-29)21-9-10-23-25(13-21)36(33(4)28(23)39)16-22-7-5-6-8-26(22)40-20(3)30;1-18-15-34(27(38)17-37)11-12-35(18)29-31-14-24(19(2)32-29)21-9-10-23-25(13-21)36(33(4)28(23)39)16-22-7-5-6-8-26(22)40-20(3)30;1-19(30)37-27-7-5-4-6-23(27)18-34-26-16-21(8-9-25(26)29(36)32(34)3)22-10-13-31-28(17-22)38-24-11-14-33(15-12-24)20(2)35;1-17-12-22(34)10-11-32(17)27-29-14-21(15-30-27)19-8-9-23-24(13-19)33(31(3)26(23)35)16-20-6-4-5-7-25(20)36-18(2)28;1-18(28)34-25-6-4-3-5-21(25)17-31-24-15-19(7-8-23(24)27(32)30(31)2)20-9-12-29-26(16-20)35-22-10-13-33-14-11-22/h2*5-10,13-14,18,20,37H,11-12,15-17H2,1-4H3;4-10,13,16-17,19,24H,11-12,14-15,18H2,1-3H3;4-9,13-15,17-18,22,34H,10-12,16H2,1-3H3;3-9,12,15-16,18,22H,10-11,13-14,17H2,1-2H3/t2*18-,20?;;17-,18?,22-;/m11.1./s1.
What are the key properties of 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one?
6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one has a molecular weight of 2584.93 g/mol, XLogP of 18.88, 34 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]-4-methylpyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-[2-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(oxan-4-yloxy)-4-pyridinyl]indazol-3-one is sourced from PubChem (CID 157086492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).