2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid

C105H101F2N19O22 — CID 158758765

IUPAC2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccnc1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCOCC1
InChIInChI=1S/C21H19N3O3.C19H16FN3O4.C18H17N3O5.C17H16FN3O3.C16H16N4O3.C14H17N3O4/c1-12(2)24(3)19-18(15-9-8-13-6-4-5-7-14(13)10-15)22-16-11-17(21(25)26)27-20(16)23-19;1-9(2)23(3)17-16(14-7-10-6-11(20)4-5-13(10)26-14)21-12-8-15(19(24)25)27-18(12)22-17;1-9(2)21(3)16-15(10-4-5-12-13(6-10)25-8-24-12)19-11-7-14(18(22)23)26-17(11)20-16;1-9(2)21(3)15-14(10-4-6-11(18)7-5-10)19-12-8-13(17(22)23)24-16(12)20-15;1-9(2)20(3)14-13(10-5-4-6-17-8-10)18-11-7-12(16(21)22)23-15(11)19-14;1-8(2)11-12(17-3-5-20-6-4-17)16-13-9(15-11)7-10(21-13)14(18)19/h4-12H,1-3H3,(H,25,26);4-9H,1-3H3,(H,24,25);4-7,9H,8H2,1-3H3,(H,22,23);4-9H,1-3H3,(H,22,23);4-9H,1-3H3,(H,21,22);7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyIOKBMBNNBTZRLH-UHFFFAOYSA-N
MW2019.07 g/mol
LogP20.35
Rot. Bonds23

About 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid

2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 158758765) has the molecular formula C105H101F2N19O22 and a molecular weight of 2019.07 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
PubChem CID158758765
Molecular FormulaC105H101F2N19O22
Molecular Weight2019.07 g/mol
Exact Mass2017.73
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccnc1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCOCC1
InChIInChI=1S/C21H19N3O3.C19H16FN3O4.C18H17N3O5.C17H16FN3O3.C16H16N4O3.C14H17N3O4/c1-12(2)24(3)19-18(15-9-8-13-6-4-5-7-14(13)10-15)22-16-11-17(21(25)26)27-20(16)23-19;1-9(2)23(3)17-16(14-7-10-6-11(20)4-5-13(10)26-14)21-12-8-15(19(24)25)27-18(12)22-17;1-9(2)21(3)16-15(10-4-5-12-13(6-10)25-8-24-12)19-11-7-14(18(22)23)26-17(11)20-16;1-9(2)21(3)15-14(10-4-6-11(18)7-5-10)19-12-8-13(17(22)23)24-16(12)20-15;1-9(2)20(3)14-13(10-5-4-6-17-8-10)18-11-7-12(16(21)22)23-15(11)19-14;1-8(2)11-12(17-3-5-20-6-4-17)16-13-9(15-11)7-10(21-13)14(18)19/h4-12H,1-3H3,(H,25,26);4-9H,1-3H3,(H,24,25);4-7,9H,8H2,1-3H3,(H,22,23);4-9H,1-3H3,(H,22,23);4-9H,1-3H3,(H,21,22);7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyIOKBMBNNBTZRLH-UHFFFAOYSA-N
XLogP20.35
TPSA530.48 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002019.07
LogP ≤ 520.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid with MolForge

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Related Compounds

2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
CID 165045963
2,2-difluoro-N-[5-methyl-4-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;2,2-dimethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-5-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-2-methyl-N-[6-methyl-5-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 165051185
(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
CID 167638633
3-(azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
CID 157132229
2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[3-methyl-5-(1,3-oxazol-2-yl)-1-benzofuran-2-yl]ethanone;3-[[1-[5-[2-[5-(3-fluorophenyl)-3-methyl-1-benzofuran-2-yl]-2-oxoethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid;methyl 3-[[1-[5-[2-[5-(4-fluorophenyl)-3-methyl-1-benzofuran-2-yl]-2-oxoethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate;4-[[(3S)-1-[5-[2-(3-methyl-5-phenyl-1-benzofuran-2-yl)-2-oxoethyl]-2-pyridinyl]pyrrolidin-3-yl]methoxy]benzoic acid
CID 157163322
3-(Azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 157258420
2-[2-[4-[5-[2-[5-(4-Fluorophenyl)-3-methyl-1-benzofuran-2-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzoic acid;methyl 3-[[1-[5-[2-[5-(4-fluorophenyl)-3-methyl-1-benzofuran-2-yl]-2-oxoethyl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoate;methyl 3-[[1-[5-[2-[3-methyl-5-(1,3-oxazol-2-yl)-1-benzofuran-2-yl]-2-oxoethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate;3-[[1-[5-[2-[3-methyl-5-(1,3-oxazol-2-yl)-1-benzofuran-2-yl]-2-oxoethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 157629281
2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid
CID 157969870
2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-cyclopentyl-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid
CID 157973764
tert-butyl [(4S)-4-[(5-ethoxy-4-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-4-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-methyl-2,5-dioxoimidazolidin-1-yl]methyl carbonate;bis(2-ethoxyethyl [(4S)-4-furo[3,2-c]pyridin-2-yl-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl carbonate);[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)-2,5-dioxoimidazolidin-1-yl]methyl benzoate
CID 158003835
3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
CID 158246701
2-(5-Fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-piperidin-1-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 158248214

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid (CID 158758765) is 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid is CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2c(c1)OCO2.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccnc1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCOCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is IOKBMBNNBTZRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3.C19H16FN3O4.C18H17N3O5.C17H16FN3O3.C16H16N4O3.C14H17N3O4/c1-12(2)24(3)19-18(15-9-8-13-6-4-5-7-14(13)10-15)22-16-11-17(21(25)26)27-20(16)23-19;1-9(2)23(3)17-16(14-7-10-6-11(20)4-5-13(10)26-14)21-12-8-15(19(24)25)27-18(12)22-17;1-9(2)21(3)16-15(10-4-5-12-13(6-10)25-8-24-12)19-11-7-14(18(22)23)26-17(11)20-16;1-9(2)21(3)15-14(10-4-6-11(18)7-5-10)19-12-8-13(17(22)23)24-16(12)20-15;1-9(2)20(3)14-13(10-5-4-6-17-8-10)18-11-7-12(16(21)22)23-15(11)19-14;1-8(2)11-12(17-3-5-20-6-4-17)16-13-9(15-11)7-10(21-13)14(18)19/h4-12H,1-3H3,(H,25,26);4-9H,1-3H3,(H,24,25);4-7,9H,8H2,1-3H3,(H,22,23);4-9H,1-3H3,(H,22,23);4-9H,1-3H3,(H,21,22);7-8H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 2019.07 g/mol, XLogP of 20.35, 23 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 158758765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).