bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal

C94H89Cl5N12O16 — CID 159632901

IUPACbis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal
SMILESC1COCCN1.CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(Cl)cc21.CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(Cl)cc21.CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(N3CCOCC3)cc21.CCC1OC(=O)c2cnc(Cl)cc21.CCC1OC(=O)c2cnc(Cl)cc21.CCC=O.O=C(O)c1ccc(Cl)nc1.O=C1Cc2ccccc2N1
InChIInChI=1S/C21H21N3O3.2C17H13ClN2O2.2C9H8ClNO2.C8H7NO.C6H4ClNO2.C4H9NO.C3H6O/c1-2-17-14-11-18(24-7-9-26-10-8-24)22-12-15(14)20(27-17)19-13-5-3-4-6-16(13)23-21(19)25;2*1-2-13-10-7-14(18)19-8-11(10)16(22-13)15-9-5-3-4-6-12(9)20-17(15)21;2*1-2-7-5-3-8(10)11-4-6(5)9(12)13-7;10-8-5-6-3-1-2-4-7(6)9-8;7-5-2-1-4(3-8-5)6(9)10;1-3-6-4-2-5-1;1-2-3-4/h3-6,11-12,17H,2,7-10H2,1H3,(H,23,25);2*3-8,13H,2H2,1H3,(H,20,21);2*3-4,7H,2H2,1H3;1-4H,5H2,(H,9,10);1-3H,(H,9,10);5H,1-4H2;3H,2H2,1H3/b20-19+;2*16-15+;;;;;;
InChIKeyMPIYNHYQIIVGHB-DSDVEYDFSA-N
MW1820.08 g/mol
LogP18.82
Rot. Bonds8

About bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal

bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal (PubChem CID 159632901) has the molecular formula C94H89Cl5N12O16 and a molecular weight of 1820.08 g/mol. Its IUPAC name is bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal.

Molecular Properties

Compound Namebis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal
PubChem CID159632901
Molecular FormulaC94H89Cl5N12O16
Molecular Weight1820.08 g/mol
Exact Mass1816.50
IUPAC Namebis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal
SMILESC1COCCN1.CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(Cl)cc21.CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(Cl)cc21.CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(N3CCOCC3)cc21.CCC1OC(=O)c2cnc(Cl)cc21.CCC1OC(=O)c2cnc(Cl)cc21.CCC=O.O=C(O)c1ccc(Cl)nc1.O=C1Cc2ccccc2N1
InChIInChI=1S/C21H21N3O3.2C17H13ClN2O2.2C9H8ClNO2.C8H7NO.C6H4ClNO2.C4H9NO.C3H6O/c1-2-17-14-11-18(24-7-9-26-10-8-24)22-12-15(14)20(27-17)19-13-5-3-4-6-16(13)23-21(19)25;2*1-2-13-10-7-14(18)19-8-11(10)16(22-13)15-9-5-3-4-6-12(9)20-17(15)21;2*1-2-7-5-3-8(10)11-4-6(5)9(12)13-7;10-8-5-6-3-1-2-4-7(6)9-8;7-5-2-1-4(3-8-5)6(9)10;1-3-6-4-2-5-1;1-2-3-4/h3-6,11-12,17H,2,7-10H2,1H3,(H,23,25);2*3-8,13H,2H2,1H3,(H,20,21);2*3-4,7H,2H2,1H3;1-4H,5H2,(H,9,10);1-3H,(H,9,10);5H,1-4H2;3H,2H2,1H3/b20-19+;2*16-15+;;;;;;
InChIKeyMPIYNHYQIIVGHB-DSDVEYDFSA-N
XLogP18.82
TPSA362.13 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds8
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001820.08
LogP ≤ 518.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal with MolForge

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Related Compounds

Sodium;[3-(aminomethyl)phenyl]boronic acid;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridine-8-carbonyl]amino]phenyl]acetic acid;6-chloroimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridine-8-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[(6-chloroimidazo[1,2-a]pyridine-8-carbonyl)amino]phenyl]acetate;hydroxide;hydrochloride
CID 157626328
dicesium;benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-5-[(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)amino]-2-methylpiperidine-1-carboxylate;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methylpiperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate;2-(tetrazol-2-yl)benzoic acid
CID 158038148
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-5-phenyl-3-pyrimidin-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 158681588
Tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane
CID 158836912
benzene-1,2-diamine;benzyl (1S,4S)-5-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;benzyl carbonochloridate;benzyl (1S,4S)-5-(5-methoxycarbonyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1S,4S)-5-(5-methoxycarbonyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;methyl 6-chloropyridine-3-carboxylate;methyl 6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxylate;6-[(1S,4S)-5-phenylmethoxycarbonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxylic acid
CID 159683675
bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);(6-chloro-3-pyridinyl) formate;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;oxane;propanal
CID 160130830
Dicesium;tert-butyl 3-[[(2-chloro-5-formyl-4-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl 3-[[[2-chloro-5-(hydroxymethyl)-4-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;tert-butyl 3-[(7-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)methyl]pyrrolidine-1-carboxylate;7-chloro-1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenyl-1,6-naphthyridin-2-one;dioxomanganese;hydride;methyl 2-phenylacetate;oxido formate
CID 160491011
dicesium;benzyl (2R,5R)-5-[(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)amino]-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methylpiperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;1,1-dimethyl-4-[[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;hydride;oxido formate;2-(tetrazol-2-yl)benzoic acid
CID 160522277
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-3-(oxolan-2-ylmethyl)-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-5-phenyl-3-pyrimidin-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 160672138
6-amino-4-methyl-1H-quinolin-2-one;2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide;2-chloro-5-(morpholin-4-ylmethyl)pyridine-3-carboxylic acid;methyl 2-chloro-5-formylpyridine-3-carboxylate;bis(methyl 2-chloro-5-(morpholin-4-ylmethyl)pyridine-3-carboxylate);N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;morpholine;pyrrolidine
CID 161749528

Frequently Asked Questions

What is the IUPAC name of bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal?
The IUPAC name of bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal (CID 159632901) is bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal.
What is the SMILES notation for bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal?
The canonical SMILES for bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal is C1COCCN1.CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(Cl)cc21.CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(Cl)cc21.CCC1O/C(=C2/C(=O)Nc3ccccc32)c2cnc(N3CCOCC3)cc21.CCC1OC(=O)c2cnc(Cl)cc21.CCC1OC(=O)c2cnc(Cl)cc21.CCC=O.O=C(O)c1ccc(Cl)nc1.O=C1Cc2ccccc2N1.
What is the InChIKey of bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal?
The InChIKey is MPIYNHYQIIVGHB-DSDVEYDFSA-N. The full InChI is InChI=1S/C21H21N3O3.2C17H13ClN2O2.2C9H8ClNO2.C8H7NO.C6H4ClNO2.C4H9NO.C3H6O/c1-2-17-14-11-18(24-7-9-26-10-8-24)22-12-15(14)20(27-17)19-13-5-3-4-6-16(13)23-21(19)25;2*1-2-13-10-7-14(18)19-8-11(10)16(22-13)15-9-5-3-4-6-12(9)20-17(15)21;2*1-2-7-5-3-8(10)11-4-6(5)9(12)13-7;10-8-5-6-3-1-2-4-7(6)9-8;7-5-2-1-4(3-8-5)6(9)10;1-3-6-4-2-5-1;1-2-3-4/h3-6,11-12,17H,2,7-10H2,1H3,(H,23,25);2*3-8,13H,2H2,1H3,(H,20,21);2*3-4,7H,2H2,1H3;1-4H,5H2,(H,9,10);1-3H,(H,9,10);5H,1-4H2;3H,2H2,1H3/b20-19+;2*16-15+;;;;;;.
What are the key properties of bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal?
bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal has a molecular weight of 1820.08 g/mol, XLogP of 18.82, 8 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-one);bis((3E)-3-(6-chloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one);6-chloropyridine-3-carboxylic acid;1,3-dihydroindol-2-one;(3E)-3-(1-ethyl-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-1H-indol-2-one;morpholine;propanal is sourced from PubChem (CID 159632901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).