1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one

C126H127F5N24O16 — CID 158601163

IUPAC1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one
SMILESCC(F)Oc1ccccc1Cn1c2cc(-c3ccc(N4CCNC(=O)C4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3ccc(N4CCOCC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCC(C(=O)O)CC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCNC(=O)C4)nc3)ccc2c(=O)n1C.COc1ncc(-c2ccc3c(=O)n(C)n(Cc4ccccc4OC(C)F)c3c2)cn1
InChIInChI=1S/C27H28FN5O4.C26H26FN5O3.C26H27FN4O3.C25H25FN6O3.C22H21FN4O3/c1-17(28)37-24-6-4-3-5-20(24)16-33-23-13-19(7-8-22(23)25(34)31(33)2)21-14-29-27(30-15-21)32-11-9-18(10-12-32)26(35)36;1-17(27)35-23-6-4-3-5-20(23)15-32-22-13-18(7-9-21(22)26(34)30(32)2)19-8-10-24(29-14-19)31-12-11-28-25(33)16-31;1-18(27)34-24-6-4-3-5-21(24)17-31-23-15-19(7-9-22(23)26(32)29(31)2)20-8-10-25(28-16-20)30-11-13-33-14-12-30;1-16(26)35-22-6-4-3-5-18(22)14-32-21-11-17(7-8-20(21)24(34)30(32)2)19-12-28-25(29-13-19)31-10-9-27-23(33)15-31;1-14(23)30-20-7-5-4-6-16(20)13-27-19-10-15(8-9-18(19)21(28)26(27)2)17-11-24-22(29-3)25-12-17/h3-8,13-15,17-18H,9-12,16H2,1-2H3,(H,35,36);3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,28,33);3-10,15-16,18H,11-14,17H2,1-2H3;3-8,11-13,16H,9-10,14-15H2,1-2H3,(H,27,33);4-12,14H,13H2,1-3H3
InChIKeyHVQRMSYMJDFHMN-UHFFFAOYSA-N
MW2328.54 g/mol
LogP16.93
Rot. Bonds31

About 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one

1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one (PubChem CID 158601163) has the molecular formula C126H127F5N24O16 and a molecular weight of 2328.54 g/mol. Its IUPAC name is 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one.

Molecular Properties

Compound Name1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one
PubChem CID158601163
Molecular FormulaC126H127F5N24O16
Molecular Weight2328.54 g/mol
Exact Mass2326.98
IUPAC Name1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one
SMILESCC(F)Oc1ccccc1Cn1c2cc(-c3ccc(N4CCNC(=O)C4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3ccc(N4CCOCC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCC(C(=O)O)CC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCNC(=O)C4)nc3)ccc2c(=O)n1C.COc1ncc(-c2ccc3c(=O)n(C)n(Cc4ccccc4OC(C)F)c3c2)cn1
InChIInChI=1S/C27H28FN5O4.C26H26FN5O3.C26H27FN4O3.C25H25FN6O3.C22H21FN4O3/c1-17(28)37-24-6-4-3-5-20(24)16-33-23-13-19(7-8-22(23)25(34)31(33)2)21-14-29-27(30-15-21)32-11-9-18(10-12-32)26(35)36;1-17(27)35-23-6-4-3-5-20(23)15-32-22-13-18(7-9-21(22)26(34)30(32)2)19-8-10-24(29-14-19)31-12-11-28-25(33)16-31;1-18(27)34-24-6-4-3-5-21(24)17-31-23-15-19(7-9-22(23)26(32)29(31)2)20-8-10-25(28-16-20)30-11-13-33-14-12-30;1-16(26)35-22-6-4-3-5-18(22)14-32-21-11-17(7-8-20(21)24(34)30(32)2)19-12-28-25(29-13-19)31-10-9-27-23(33)15-31;1-14(23)30-20-7-5-4-6-16(20)13-27-19-10-15(8-9-18(19)21(28)26(27)2)17-11-24-22(29-3)25-12-17/h3-8,13-15,17-18H,9-12,16H2,1-2H3,(H,35,36);3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,28,33);3-10,15-16,18H,11-14,17H2,1-2H3;3-8,11-13,16H,9-10,14-15H2,1-2H3,(H,27,33);4-12,14H,13H2,1-3H3
InChIKeyHVQRMSYMJDFHMN-UHFFFAOYSA-N
XLogP16.93
TPSA410.84 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002328.54
LogP ≤ 516.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Analyze 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-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
6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157098816
2-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]benzoic acid;3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
CID 157231931
5-(3-tert-butyl-5-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-ethylmorpholin-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-ethylphenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;methyl 3-fluoro-5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-3-pyridinyl]benzoate;6-[(3R)-3-methylpyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157241165
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
1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-(propan-2-yloxymethyl)pyridine
CID 157758313
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
4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157937925
CID 158002486
CID 158002486

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one?
The IUPAC name of 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one (CID 158601163) is 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one.
What is the SMILES notation for 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one?
The canonical SMILES for 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one is CC(F)Oc1ccccc1Cn1c2cc(-c3ccc(N4CCNC(=O)C4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3ccc(N4CCOCC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCC(C(=O)O)CC4)nc3)ccc2c(=O)n1C.CC(F)Oc1ccccc1Cn1c2cc(-c3cnc(N4CCNC(=O)C4)nc3)ccc2c(=O)n1C.COc1ncc(-c2ccc3c(=O)n(C)n(Cc4ccccc4OC(C)F)c3c2)cn1.
What is the InChIKey of 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one?
The InChIKey is HVQRMSYMJDFHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O4.C26H26FN5O3.C26H27FN4O3.C25H25FN6O3.C22H21FN4O3/c1-17(28)37-24-6-4-3-5-20(24)16-33-23-13-19(7-8-22(23)25(34)31(33)2)21-14-29-27(30-15-21)32-11-9-18(10-12-32)26(35)36;1-17(27)35-23-6-4-3-5-20(23)15-32-22-13-18(7-9-21(22)26(34)30(32)2)19-8-10-24(29-14-19)31-12-11-28-25(33)16-31;1-18(27)34-24-6-4-3-5-21(24)17-31-23-15-19(7-9-22(23)26(32)29(31)2)20-8-10-25(28-16-20)30-11-13-33-14-12-30;1-16(26)35-22-6-4-3-5-18(22)14-32-21-11-17(7-8-20(21)24(34)30(32)2)19-12-28-25(29-13-19)31-10-9-27-23(33)15-31;1-14(23)30-20-7-5-4-6-16(20)13-27-19-10-15(8-9-18(19)21(28)26(27)2)17-11-24-22(29-3)25-12-17/h3-8,13-15,17-18H,9-12,16H2,1-2H3,(H,35,36);3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,28,33);3-10,15-16,18H,11-14,17H2,1-2H3;3-8,11-13,16H,9-10,14-15H2,1-2H3,(H,27,33);4-12,14H,13H2,1-3H3.
What are the key properties of 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one?
1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one has a molecular weight of 2328.54 g/mol, XLogP of 16.93, 31 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-fluoroethoxy)phenyl]methyl]-6-(2-methoxypyrimidin-5-yl)-2-methylindazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-3-one;1-[5-[1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]indazol-3-one;1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one is sourced from PubChem (CID 158601163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).