1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane

C153H211BrF8N22O11 — CID 172949037

IUPAC1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane
SMILESC.C/C(=N/O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)CBr.CC(=O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.CCOC(=O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.Fc1cccc(C2CCCN2)c1.Nc1ccc(N2CCCC2c2cccc(F)c2)cn1.O=C(O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCCC2c2cccc(F)c2)cn1
InChIInChI=1S/C20H20FN3O2.C19H19FN4O.C19H18FN3O.C18H16FN3O2.C15H14FN3O2.C15H16FN3.C10H12FN.C5H3FN2O2.C3H5BrO.14C2H6.CH4/c1-2-26-20(25)18-12-22-19-9-8-16(13-24(18)19)23-10-4-7-17(23)14-5-3-6-15(21)11-14;1-13(22-25)18-11-21-19-8-7-16(12-24(18)19)23-9-3-6-17(23)14-4-2-5-15(20)10-14;1-13(24)18-11-21-19-8-7-16(12-23(18)19)22-9-3-6-17(22)14-4-2-5-15(20)10-14;19-13-4-1-3-12(9-13)15-5-2-8-21(15)14-6-7-17-20-10-16(18(23)24)22(17)11-14;16-12-4-1-3-11(9-12)14-5-2-8-18(14)13-6-7-15(17-10-13)19(20)21;16-12-4-1-3-11(9-12)14-5-2-8-19(14)13-6-7-15(17)18-10-13;11-9-4-1-3-8(7-9)10-5-2-6-12-10;6-4-1-2-5(7-3-4)8(9)10;1-3(5)2-4;14*1-2;/h3,5-6,8-9,11-13,17H,2,4,7,10H2,1H3;2,4-5,7-8,10-12,17,25H,3,6,9H2,1H3;2,4-5,7-8,10-12,17H,3,6,9H2,1H3;1,3-4,6-7,9-11,15H,2,5,8H2,(H,23,24);1,3-4,6-7,9-10,14H,2,5,8H2;1,3-4,6-7,9-10,14H,2,5,8H2,(H2,17,18);1,3-4,7,10,12H,2,5-6H2;1-3H;2H2,1H3;14*1-2H3;1H4/b;22-13-;;;;;;;;;;;;;;;;;;;;;;
InChIKeyTWCXNQBJXOHGQS-QARKFKDFSA-N
MW2766.40 g/mol
LogP41.50
Rot. Bonds21

About 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane

1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane (PubChem CID 172949037) has the molecular formula C153H211BrF8N22O11 and a molecular weight of 2766.40 g/mol. Its IUPAC name is 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane.

Molecular Properties

Compound Name1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane
PubChem CID172949037
Molecular FormulaC153H211BrF8N22O11
Molecular Weight2766.40 g/mol
Exact Mass2763.57
IUPAC Name1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane
SMILESC.C/C(=N/O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)CBr.CC(=O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.CCOC(=O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.Fc1cccc(C2CCCN2)c1.Nc1ccc(N2CCCC2c2cccc(F)c2)cn1.O=C(O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCCC2c2cccc(F)c2)cn1
InChIInChI=1S/C20H20FN3O2.C19H19FN4O.C19H18FN3O.C18H16FN3O2.C15H14FN3O2.C15H16FN3.C10H12FN.C5H3FN2O2.C3H5BrO.14C2H6.CH4/c1-2-26-20(25)18-12-22-19-9-8-16(13-24(18)19)23-10-4-7-17(23)14-5-3-6-15(21)11-14;1-13(22-25)18-11-21-19-8-7-16(12-24(18)19)23-9-3-6-17(23)14-4-2-5-15(20)10-14;1-13(24)18-11-21-19-8-7-16(12-23(18)19)22-9-3-6-17(22)14-4-2-5-15(20)10-14;19-13-4-1-3-12(9-13)15-5-2-8-21(15)14-6-7-17-20-10-16(18(23)24)22(17)11-14;16-12-4-1-3-11(9-12)14-5-2-8-18(14)13-6-7-15(17-10-13)19(20)21;16-12-4-1-3-11(9-12)14-5-2-8-19(14)13-6-7-15(17)18-10-13;11-9-4-1-3-8(7-9)10-5-2-6-12-10;6-4-1-2-5(7-3-4)8(9)10;1-3(5)2-4;14*1-2;/h3,5-6,8-9,11-13,17H,2,4,7,10H2,1H3;2,4-5,7-8,10-12,17,25H,3,6,9H2,1H3;2,4-5,7-8,10-12,17H,3,6,9H2,1H3;1,3-4,6-7,9-11,15H,2,5,8H2,(H,23,24);1,3-4,6-7,9-10,14H,2,5,8H2;1,3-4,6-7,9-10,14H,2,5,8H2,(H2,17,18);1,3-4,7,10,12H,2,5-6H2;1-3H;2H2,1H3;14*1-2H3;1H4/b;22-13-;;;;;;;;;;;;;;;;;;;;;;
InChIKeyTWCXNQBJXOHGQS-QARKFKDFSA-N
XLogP41.50
TPSA381.97 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002766.40
LogP ≤ 541.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane with MolForge

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Related Compounds

Lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde
CID 157115869
Lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde;[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol
CID 158192350
sodium;2-amino-1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyridine-2-carboxylate;N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide;imidazo[1,2-a]pyridine-2-carboxylic acid;pyridin-2-amine;hydroxide;hydrochloride
CID 161533573
Sodium;[3-(3-fluorophenyl)pyrrolidin-1-yl]-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;methane;methyl 3-bromo-2-oxopropanoate;methyl 8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;3-(trifluoromethyl)-1,2-dihydropyridin-2-amine;8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;hydroxide
CID 161894845
2-(Azidomethyl)-6-cyclopropyl-3-fluoroimidazo[1,2-a]pyridine;tert-butyl 1-[(6-cyclopropyl-3-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(6-cyclopropyl-3-fluoroimidazo[1,2-a]pyridin-2-yl)methanol;5-cyclopropylpyridin-2-amine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclopropyl-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methane
CID 157189697
cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane
CID 157398711
2-Cyclohexyl-1,4-difluorobenzene;6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[2-(2,5-difluorophenyl)piperidin-1-yl]-2-nitropyridine;5-[2-(2,5-difluorophenyl)piperidin-1-yl]pyridin-2-amine;ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine
CID 157856126
ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride
CID 158342646
6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde
CID 159170425
2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine
CID 159468478
cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane
CID 159510798
2-(2,5-difluorophenyl)pyrrolidine;6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;ethyl 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;hydrochloride
CID 159786918

Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane?
The IUPAC name of 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane (CID 172949037) is 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane.
What is the SMILES notation for 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane?
The canonical SMILES for 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane is C.C/C(=N/O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)CBr.CC(=O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.CCOC(=O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.Fc1cccc(C2CCCN2)c1.Nc1ccc(N2CCCC2c2cccc(F)c2)cn1.O=C(O)c1cnc2ccc(N3CCCC3c3cccc(F)c3)cn12.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCCC2c2cccc(F)c2)cn1.
What is the InChIKey of 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane?
The InChIKey is TWCXNQBJXOHGQS-QARKFKDFSA-N. The full InChI is InChI=1S/C20H20FN3O2.C19H19FN4O.C19H18FN3O.C18H16FN3O2.C15H14FN3O2.C15H16FN3.C10H12FN.C5H3FN2O2.C3H5BrO.14C2H6.CH4/c1-2-26-20(25)18-12-22-19-9-8-16(13-24(18)19)23-10-4-7-17(23)14-5-3-6-15(21)11-14;1-13(22-25)18-11-21-19-8-7-16(12-24(18)19)23-9-3-6-17(23)14-4-2-5-15(20)10-14;1-13(24)18-11-21-19-8-7-16(12-23(18)19)22-9-3-6-17(22)14-4-2-5-15(20)10-14;19-13-4-1-3-12(9-13)15-5-2-8-21(15)14-6-7-17-20-10-16(18(23)24)22(17)11-14;16-12-4-1-3-11(9-12)14-5-2-8-18(14)13-6-7-15(17-10-13)19(20)21;16-12-4-1-3-11(9-12)14-5-2-8-19(14)13-6-7-15(17)18-10-13;11-9-4-1-3-8(7-9)10-5-2-6-12-10;6-4-1-2-5(7-3-4)8(9)10;1-3(5)2-4;14*1-2;/h3,5-6,8-9,11-13,17H,2,4,7,10H2,1H3;2,4-5,7-8,10-12,17,25H,3,6,9H2,1H3;2,4-5,7-8,10-12,17H,3,6,9H2,1H3;1,3-4,6-7,9-11,15H,2,5,8H2,(H,23,24);1,3-4,6-7,9-10,14H,2,5,8H2;1,3-4,6-7,9-10,14H,2,5,8H2,(H2,17,18);1,3-4,7,10,12H,2,5-6H2;1-3H;2H2,1H3;14*1-2H3;1H4/b;22-13-;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane?
1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane has a molecular weight of 2766.40 g/mol, XLogP of 41.50, 21 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropan-2-one;ethane;ethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;5-fluoro-2-nitropyridine;2-(3-fluorophenyl)pyrrolidine;6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;(NZ)-N-[1-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]ethylidene]hydroxylamine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-nitropyridine;5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-2-amine;methane is sourced from PubChem (CID 172949037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).