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

C104H100F3N21O19 — CID 158248214

IUPAC2-(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
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccnc1.CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCCCC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2o1
InChIInChI=1S/C21H19N3O3.C19H16FN3O4.C17H15FN4O3.C16H15FN4O3.C16H16N4O3.C15H19N3O3/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;18-11-6-4-10(5-7-11)12-14(22-8-2-1-3-9-22)21-15-13(19-12)20-16(25-15)17(23)24;1-8(2)21(3)13-11(9-4-6-10(17)7-5-9)18-12-14(20-13)24-15(19-12)16(22)23;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;1-9(2)12-13(18-6-4-3-5-7-18)17-14-10(16-12)8-11(21-14)15(19)20/h4-12H,1-3H3,(H,25,26);4-9H,1-3H3,(H,24,25);4-7H,1-3,8-9H2,(H,23,24);4-8H,1-3H3,(H,22,23);4-9H,1-3H3,(H,21,22);8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyGGJTTWRQRCIBNV-UHFFFAOYSA-N
MW2005.07 g/mol
LogP20.85
Rot. Bonds22

About 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

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 (PubChem CID 158248214) has the molecular formula C104H100F3N21O19 and a molecular weight of 2005.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158248214
Molecular FormulaC104H100F3N21O19
Molecular Weight2005.07 g/mol
Exact Mass2003.75
IUPAC Name2-(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
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccnc1.CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCCCC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2o1
InChIInChI=1S/C21H19N3O3.C19H16FN3O4.C17H15FN4O3.C16H15FN4O3.C16H16N4O3.C15H19N3O3/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;18-11-6-4-10(5-7-11)12-14(22-8-2-1-3-9-22)21-15-13(19-12)20-16(25-15)17(23)24;1-8(2)21(3)13-11(9-4-6-10(17)7-5-9)18-12-14(20-13)24-15(19-12)16(22)23;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;1-9(2)12-13(18-6-4-3-5-7-18)17-14-10(16-12)8-11(21-14)15(19)20/h4-12H,1-3H3,(H,25,26);4-9H,1-3H3,(H,24,25);4-7H,1-3,8-9H2,(H,23,24);4-8H,1-3H3,(H,22,23);4-9H,1-3H3,(H,21,22);8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyGGJTTWRQRCIBNV-UHFFFAOYSA-N
XLogP20.85
TPSA528.57 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002005.07
LogP ≤ 520.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5-phenyl-2-pyridinyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5-pyridin-4-yl-2-pyridinyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide;2-[3-[3-[5-[[(1S)-1-cyclopropyl-2-oxobutyl]carbamoyl]furan-2-yl]phenyl]propanoyl]imidazo[1,2-a]pyridine-6-carboxylic acid;N-[(1S)-1-cyclopropyl-2-oxobutyl]-5-[3-[3-[6-(2,5-dihydropyrrole-1-carbonyl)imidazo[1,2-a]pyridin-2-yl]-3-oxopropyl]phenyl]furan-2-carboxamide;N-[(1S)-1-cyclopropyl-2-oxobutyl]-5-[3-[3-oxo-3-[6-(3-phenylpropanoyl)imidazo[1,2-a]pyridin-2-yl]propyl]phenyl]furan-2-carboxamide
CID 159680838
5-[3-(acetamidomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[2-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 161818323
3,21-dimethyl-14-aza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 157077840
2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum
CID 157081365
Ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;2-(2-methylphenyl)-1-phenylimidazole
CID 157103548
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
3,21-Dimethyl-14-aza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 157164553
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);pentakis(palladium);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid
CID 157243185
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
10-[3,6-Bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine
CID 157321618
10-[1,8-Bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
CID 157322340
Carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+)
CID 157325051

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccnc1.CC(C)N(C)c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCCCC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2o1.
What is the InChIKey of 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?
The InChIKey is GGJTTWRQRCIBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3.C19H16FN3O4.C17H15FN4O3.C16H15FN4O3.C16H16N4O3.C15H19N3O3/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;18-11-6-4-10(5-7-11)12-14(22-8-2-1-3-9-22)21-15-13(19-12)20-16(25-15)17(23)24;1-8(2)21(3)13-11(9-4-6-10(17)7-5-9)18-12-14(20-13)24-15(19-12)16(22)23;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;1-9(2)12-13(18-6-4-3-5-7-18)17-14-10(16-12)8-11(21-14)15(19)20/h4-12H,1-3H3,(H,25,26);4-9H,1-3H3,(H,24,25);4-7H,1-3,8-9H2,(H,23,24);4-8H,1-3H3,(H,22,23);4-9H,1-3H3,(H,21,22);8-9H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 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?
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 has a molecular weight of 2005.07 g/mol, XLogP of 20.85, 22 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158248214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).