1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide

C131H114F12N28O9 — CID 159185563

IUPAC1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
SMILESCC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3ccc(C4CC4)nc3)c(F)c2n1.COc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cc(C)n1.COc1ccc(Cc2ccc3c(-c4cnn(C)c4)cc(C(C)=O)nc3c2F)cn1.COc1ncccc1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1F.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCCC(C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(Cc4ccc(C(F)(F)F)nc4)ccc23)cn1
InChIInChI=1S/C24H21FN4O.C22H20FN5O2.C22H19FN4O2.C21H15F4N5O.C21H21F4N5O.C21H18FN5O2/c1-14(30)22-10-20(18-12-27-29(2)13-18)19-7-6-17(23(25)24(19)28-22)9-15-3-8-21(26-11-15)16-4-5-16;1-12-6-13(8-19(26-12)30-3)7-14-4-5-16-17(15-10-25-28(2)11-15)9-18(22(24)29)27-21(16)20(14)23;1-13(28)19-9-18(16-11-25-27(2)12-16)17-6-5-15(21(23)22(17)26-19)8-14-4-7-20(29-3)24-10-14;1-30-10-13(9-28-30)15-7-16(20(26)31)29-19-14(15)4-3-12(18(19)22)6-11-2-5-17(27-8-11)21(23,24)25;1-29-9-13(8-27-29)16-7-17(20(26)31)28-19-15(16)5-4-12(18(19)22)10-30-6-2-3-14(11-30)21(23,24)25;1-27-11-14(10-25-27)16-9-17(20(23)28)26-19-15(16)6-5-12(18(19)22)8-13-4-3-7-24-21(13)29-2/h3,6-8,10-13,16H,4-5,9H2,1-2H3;4-6,8-11H,7H2,1-3H3,(H2,24,29);4-7,9-12H,8H2,1-3H3;2-5,7-10H,6H2,1H3,(H2,26,31);4-5,7-9,14H,2-3,6,10-11H2,1H3,(H2,26,31);3-7,9-11H,8H2,1-2H3,(H2,23,28)
InChIKeyKNLDRSHMLYXVSD-UHFFFAOYSA-N
MW2452.52 g/mol
LogP22.38
Rot. Bonds28

About 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide

1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide (PubChem CID 159185563) has the molecular formula C131H114F12N28O9 and a molecular weight of 2452.52 g/mol. Its IUPAC name is 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
PubChem CID159185563
Molecular FormulaC131H114F12N28O9
Molecular Weight2452.52 g/mol
Exact Mass2450.91
IUPAC Name1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
SMILESCC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3ccc(C4CC4)nc3)c(F)c2n1.COc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cc(C)n1.COc1ccc(Cc2ccc3c(-c4cnn(C)c4)cc(C(C)=O)nc3c2F)cn1.COc1ncccc1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1F.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCCC(C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(Cc4ccc(C(F)(F)F)nc4)ccc23)cn1
InChIInChI=1S/C24H21FN4O.C22H20FN5O2.C22H19FN4O2.C21H15F4N5O.C21H21F4N5O.C21H18FN5O2/c1-14(30)22-10-20(18-12-27-29(2)13-18)19-7-6-17(23(25)24(19)28-22)9-15-3-8-21(26-11-15)16-4-5-16;1-12-6-13(8-19(26-12)30-3)7-14-4-5-16-17(15-10-25-28(2)11-15)9-18(22(24)29)27-21(16)20(14)23;1-13(28)19-9-18(16-11-25-27(2)12-16)17-6-5-15(21(23)22(17)26-19)8-14-4-7-20(29-3)24-10-14;1-30-10-13(9-28-30)15-7-16(20(26)31)29-19-14(15)4-3-12(18(19)22)6-11-2-5-17(27-8-11)21(23,24)25;1-29-9-13(8-27-29)16-7-17(20(26)31)28-19-15(16)5-4-12(18(19)22)10-30-6-2-3-14(11-30)21(23,24)25;1-27-11-14(10-25-27)16-9-17(20(23)28)26-19-15(16)6-5-12(18(19)22)8-13-4-3-7-24-21(13)29-2/h3,6-8,10-13,16H,4-5,9H2,1-2H3;4-6,8-11H,7H2,1-3H3,(H2,24,29);4-7,9-12H,8H2,1-3H3;2-5,7-10H,6H2,1H3,(H2,26,31);4-5,7-9,14H,2-3,6,10-11H2,1H3,(H2,26,31);3-7,9-11H,8H2,1-2H3,(H2,23,28)
InChIKeyKNLDRSHMLYXVSD-UHFFFAOYSA-N
XLogP22.38
TPSA486.14 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002452.52
LogP ≤ 522.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide with MolForge

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Related Compounds

CID 157066093
CID 157066093
7-[(3,3-Difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 157085775
1-[7-[(6-Cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 157097543
1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 157192545
7-[(2-Cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157204161
(2S)-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanamide;(2S)-2-(4,4-dimethylcyclohexyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[1-(4-fluorophenyl)ethyl]-4-oxobutanamide;2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-phenylpentanamide
CID 157292115
(2S)-2-[(1S)-1-cyclohexylethyl]-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-[(1S)-1-cyclohexylethyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;N-[(3S,4R)-4-cyclohexyloxy-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[1-(4-fluorophenyl)ethyl]-4-oxo-4-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 157450549
(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(2-cyclopropylacetyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-fluoro-5-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]acetamide
CID 157549720
4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 157610261
9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine
CID 157734643
7-[(2-Chloropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-cyanopyridazin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]quinoline-2-carboxamide;7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 157923772
7-[(2-Chloropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 158138655

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
The IUPAC name of 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide (CID 159185563) is 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide is CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3ccc(C4CC4)nc3)c(F)c2n1.COc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cc(C)n1.COc1ccc(Cc2ccc3c(-c4cnn(C)c4)cc(C(C)=O)nc3c2F)cn1.COc1ncccc1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1F.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCCC(C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(Cc4ccc(C(F)(F)F)nc4)ccc23)cn1.
What is the InChIKey of 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
The InChIKey is KNLDRSHMLYXVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O.C22H20FN5O2.C22H19FN4O2.C21H15F4N5O.C21H21F4N5O.C21H18FN5O2/c1-14(30)22-10-20(18-12-27-29(2)13-18)19-7-6-17(23(25)24(19)28-22)9-15-3-8-21(26-11-15)16-4-5-16;1-12-6-13(8-19(26-12)30-3)7-14-4-5-16-17(15-10-25-28(2)11-15)9-18(22(24)29)27-21(16)20(14)23;1-13(28)19-9-18(16-11-25-27(2)12-16)17-6-5-15(21(23)22(17)26-19)8-14-4-7-20(29-3)24-10-14;1-30-10-13(9-28-30)15-7-16(20(26)31)29-19-14(15)4-3-12(18(19)22)6-11-2-5-17(27-8-11)21(23,24)25;1-29-9-13(8-27-29)16-7-17(20(26)31)28-19-15(16)5-4-12(18(19)22)10-30-6-2-3-14(11-30)21(23,24)25;1-27-11-14(10-25-27)16-9-17(20(23)28)26-19-15(16)6-5-12(18(19)22)8-13-4-3-7-24-21(13)29-2/h3,6-8,10-13,16H,4-5,9H2,1-2H3;4-6,8-11H,7H2,1-3H3,(H2,24,29);4-7,9-12H,8H2,1-3H3;2-5,7-10H,6H2,1H3,(H2,26,31);4-5,7-9,14H,2-3,6,10-11H2,1H3,(H2,26,31);3-7,9-11H,8H2,1-2H3,(H2,23,28).
What are the key properties of 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide has a molecular weight of 2452.52 g/mol, XLogP of 22.38, 28 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(6-cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 159185563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).