1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one

C121H123F4N25O12 — CID 159721477

IUPAC1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one
SMILESCC(F)Oc1cccc(Cn2c3cc(-c4cnc(N5CCOCC5)nc4)ccc3c(=O)n2C)c1.CC(F)Oc1cccc(F)c1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.Cc1ccccc1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1CCc1ccccc1.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C25H25F2N5O3.C25H26FN5O3.2C24H25N5O2.C23H22FN5O2/c1-16(26)35-23-5-3-4-21(27)20(23)15-32-22-12-17(6-7-19(22)24(33)30(32)2)18-13-28-25(29-14-18)31-8-10-34-11-9-31;1-17(26)34-21-5-3-4-18(12-21)16-31-23-13-19(6-7-22(23)24(32)29(31)2)20-14-27-25(28-15-20)30-8-10-33-11-9-30;1-17-5-3-4-6-19(17)16-29-22-13-18(7-8-21(22)23(30)27(29)2)20-14-25-24(26-15-20)28-9-11-31-12-10-28;1-27-23(30)21-8-7-19(15-22(21)29(27)10-9-18-5-3-2-4-6-18)20-16-25-24(26-17-20)28-11-13-31-14-12-28;1-27-22(30)20-6-5-17(12-21(20)29(27)15-16-3-2-4-19(24)11-16)18-13-25-23(26-14-18)28-7-9-31-10-8-28/h3-7,12-14,16H,8-11,15H2,1-2H3;3-7,12-15,17H,8-11,16H2,1-2H3;3-8,13-15H,9-12,16H2,1-2H3;2-8,15-17H,9-14H2,1H3;2-6,11-14H,7-10,15H2,1H3
InChIKeyNACBJDMAIZAVSZ-UHFFFAOYSA-N
MW2195.47 g/mol
LogP15.58
Rot. Bonds25

About 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one

1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one (PubChem CID 159721477) has the molecular formula C121H123F4N25O12 and a molecular weight of 2195.47 g/mol. Its IUPAC name is 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one.

Molecular Properties

Compound Name1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one
PubChem CID159721477
Molecular FormulaC121H123F4N25O12
Molecular Weight2195.47 g/mol
Exact Mass2193.97
IUPAC Name1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one
SMILESCC(F)Oc1cccc(Cn2c3cc(-c4cnc(N5CCOCC5)nc4)ccc3c(=O)n2C)c1.CC(F)Oc1cccc(F)c1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.Cc1ccccc1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1CCc1ccccc1.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C25H25F2N5O3.C25H26FN5O3.2C24H25N5O2.C23H22FN5O2/c1-16(26)35-23-5-3-4-21(27)20(23)15-32-22-12-17(6-7-19(22)24(33)30(32)2)18-13-28-25(29-14-18)31-8-10-34-11-9-31;1-17(26)34-21-5-3-4-18(12-21)16-31-23-13-19(6-7-22(23)24(32)29(31)2)20-14-27-25(28-15-20)30-8-10-33-11-9-30;1-17-5-3-4-6-19(17)16-29-22-13-18(7-8-21(22)23(30)27(29)2)20-14-25-24(26-15-20)28-9-11-31-12-10-28;1-27-23(30)21-8-7-19(15-22(21)29(27)10-9-18-5-3-2-4-6-18)20-16-25-24(26-17-20)28-11-13-31-14-12-28;1-27-22(30)20-6-5-17(12-21(20)29(27)15-16-3-2-4-19(24)11-16)18-13-25-23(26-14-18)28-7-9-31-10-8-28/h3-7,12-14,16H,8-11,15H2,1-2H3;3-7,12-15,17H,8-11,16H2,1-2H3;3-8,13-15H,9-12,16H2,1-2H3;2-8,15-17H,9-14H2,1H3;2-6,11-14H,7-10,15H2,1H3
InChIKeyNACBJDMAIZAVSZ-UHFFFAOYSA-N
XLogP15.58
TPSA344.36 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002195.47
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)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
6-[2-(1-Fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one
CID 135270994
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide
CID 157107931
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
3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide;bis(5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine);3-(1,1,2,2-tetrafluoropropyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 157713400
4-[[4-[[4-(3,5-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-oxo-4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one;hydrochloride
CID 158249133
[5-Fluoro-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methoxy-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158325543
(2-Fluoro-6-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158546925
(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
N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 160569719

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one?
The IUPAC name of 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one (CID 159721477) is 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one.
What is the SMILES notation for 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one?
The canonical SMILES for 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one is CC(F)Oc1cccc(Cn2c3cc(-c4cnc(N5CCOCC5)nc4)ccc3c(=O)n2C)c1.CC(F)Oc1cccc(F)c1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.Cc1ccccc1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1CCc1ccccc1.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1cccc(F)c1.
What is the InChIKey of 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one?
The InChIKey is NACBJDMAIZAVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3.C25H26FN5O3.2C24H25N5O2.C23H22FN5O2/c1-16(26)35-23-5-3-4-21(27)20(23)15-32-22-12-17(6-7-19(22)24(33)30(32)2)18-13-28-25(29-14-18)31-8-10-34-11-9-31;1-17(26)34-21-5-3-4-18(12-21)16-31-23-13-19(6-7-22(23)24(32)29(31)2)20-14-27-25(28-15-20)30-8-10-33-11-9-30;1-17-5-3-4-6-19(17)16-29-22-13-18(7-8-21(22)23(30)27(29)2)20-14-25-24(26-15-20)28-9-11-31-12-10-28;1-27-23(30)21-8-7-19(15-22(21)29(27)10-9-18-5-3-2-4-6-18)20-16-25-24(26-17-20)28-11-13-31-14-12-28;1-27-22(30)20-6-5-17(12-21(20)29(27)15-16-3-2-4-19(24)11-16)18-13-25-23(26-14-18)28-7-9-31-10-8-28/h3-7,12-14,16H,8-11,15H2,1-2H3;3-7,12-15,17H,8-11,16H2,1-2H3;3-8,13-15H,9-12,16H2,1-2H3;2-8,15-17H,9-14H2,1H3;2-6,11-14H,7-10,15H2,1H3.
What are the key properties of 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one?
1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one has a molecular weight of 2195.47 g/mol, XLogP of 15.58, 25 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[[2-fluoro-6-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(3-fluorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-1-[(2-methylphenyl)methyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-1-(2-phenylethyl)indazol-3-one is sourced from PubChem (CID 159721477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).