8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide

C114H98F17N21O10 — CID 159882875

IUPAC8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
SMILESCCC(O)(c1ccn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2F)c1)C(F)(F)F.CCC(O)(c1ccn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2F)c1)C(F)(F)F.COc1ncccc1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1F.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCC(F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(Cc4ccc(C(F)(F)F)nc4)ccc23)cn1
InChIInChI=1S/2C26H22F5N3O3.C21H15F4N5O.C21H18FN5O2.C20H21F2N5O/c1-3-25(36,26(29,30)31)16-8-9-34(13-16)12-15-4-6-17-18(14-5-7-21(37-2)19(27)10-14)11-20(24(32)35)33-23(17)22(15)28;1-3-25(36,26(29,30)31)15-8-9-34(13-15)12-14-4-6-18-19(17-7-5-16(37-2)10-20(17)27)11-21(24(32)35)33-23(18)22(14)28;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;1-27-11-14(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;1-26-10-13(9-24-26)16-8-17(20(23)28)25-19-15(16)3-2-12(18(19)22)11-27-6-4-14(21)5-7-27/h2*4-11,13,36H,3,12H2,1-2H3,(H2,32,35);2-5,7-10H,6H2,1H3,(H2,26,31);3-7,9-11H,8H2,1-2H3,(H2,23,28);2-3,8-10,14H,4-7,11H2,1H3,(H2,23,28)
InChIKeyNTTCKXOBARPWID-UHFFFAOYSA-N
MW2245.14 g/mol
LogP20.15
Rot. Bonds27

About 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide

8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide (PubChem CID 159882875) has the molecular formula C114H98F17N21O10 and a molecular weight of 2245.14 g/mol. Its IUPAC name is 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
PubChem CID159882875
Molecular FormulaC114H98F17N21O10
Molecular Weight2245.14 g/mol
Exact Mass2243.75
IUPAC Name8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
SMILESCCC(O)(c1ccn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2F)c1)C(F)(F)F.CCC(O)(c1ccn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2F)c1)C(F)(F)F.COc1ncccc1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1F.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCC(F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(Cc4ccc(C(F)(F)F)nc4)ccc23)cn1
InChIInChI=1S/2C26H22F5N3O3.C21H15F4N5O.C21H18FN5O2.C20H21F2N5O/c1-3-25(36,26(29,30)31)16-8-9-34(13-16)12-15-4-6-17-18(14-5-7-21(37-2)19(27)10-14)11-20(24(32)35)33-23(17)22(15)28;1-3-25(36,26(29,30)31)15-8-9-34(13-15)12-14-4-6-18-19(17-7-5-16(37-2)10-20(17)27)11-21(24(32)35)33-23(18)22(14)28;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;1-27-11-14(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;1-26-10-13(9-24-26)16-8-17(20(23)28)25-19-15(16)3-2-12(18(19)22)11-27-6-4-14(21)5-7-27/h2*4-11,13,36H,3,12H2,1-2H3,(H2,32,35);2-5,7-10H,6H2,1H3,(H2,26,31);3-7,9-11H,8H2,1-2H3,(H2,23,28);2-3,8-10,14H,4-7,11H2,1H3,(H2,23,28)
InChIKeyNTTCKXOBARPWID-UHFFFAOYSA-N
XLogP20.15
TPSA440.39 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002245.14
LogP ≤ 520.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157066093
CID 157066093
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
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
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,5-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,6-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(5-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157363888
(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
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
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxyindazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158407952
8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 158529040
1-(3-Fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-3-pyridinyl)indole-5-carboxylic acid;1-pyridin-4-ylindole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 158879236
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;N-(2-cyclohexyl-6-methoxy-3-methylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;methane;N-[6-methoxy-3-methyl-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-3-(trifluoromethyl)benzamide;N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 159082886
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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide (CID 159882875) is 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide is CCC(O)(c1ccn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2F)c1)C(F)(F)F.CCC(O)(c1ccn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2F)c1)C(F)(F)F.COc1ncccc1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1F.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCC(F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(Cc4ccc(C(F)(F)F)nc4)ccc23)cn1.
What is the InChIKey of 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
The InChIKey is NTTCKXOBARPWID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22F5N3O3.C21H15F4N5O.C21H18FN5O2.C20H21F2N5O/c1-3-25(36,26(29,30)31)16-8-9-34(13-16)12-15-4-6-17-18(14-5-7-21(37-2)19(27)10-14)11-20(24(32)35)33-23(17)22(15)28;1-3-25(36,26(29,30)31)15-8-9-34(13-15)12-14-4-6-18-19(17-7-5-16(37-2)10-20(17)27)11-21(24(32)35)33-23(18)22(14)28;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;1-27-11-14(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;1-26-10-13(9-24-26)16-8-17(20(23)28)25-19-15(16)3-2-12(18(19)22)11-27-6-4-14(21)5-7-27/h2*4-11,13,36H,3,12H2,1-2H3,(H2,32,35);2-5,7-10H,6H2,1H3,(H2,26,31);3-7,9-11H,8H2,1-2H3,(H2,23,28);2-3,8-10,14H,4-7,11H2,1H3,(H2,23,28).
What are the key properties of 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide?
8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide has a molecular weight of 2245.14 g/mol, XLogP of 20.15, 27 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)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;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 159882875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).