2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid

C110H110F3N19O15 — CID 159799605

IUPAC2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2c(nc1-c1cc3cc(F)ccc3o1)C=C(C(=O)O)C2.CC(C)N(C)c1nc2c(nc1-c1ccc3ccccc3c1)C=C(C(=O)O)C2.CC(C)N(C)c1nc2c(nc1-c1cccnc1)C=C(C(=O)O)C2.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1.CC(C)c1nc2c(nc1N1CCCCC1)CC(C(=O)O)=C2.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2o1
InChIInChI=1S/C22H21N3O2.C20H18FN3O3.C18H16FN3O3.C17H16FN3O3.C17H18N4O2.C16H21N3O2/c1-13(2)25(3)21-20(16-9-8-14-6-4-5-7-15(14)10-16)23-18-11-17(22(26)27)12-19(18)24-21;1-10(2)24(3)19-18(17-9-11-6-13(21)4-5-16(11)27-17)22-14-7-12(20(25)26)8-15(14)23-19;19-12-6-4-11(5-7-12)15-16(22-8-2-1-3-9-22)21-17-13(20-15)10-14(25-17)18(23)24;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;1-10(2)21(3)16-15(11-5-4-6-18-9-11)19-13-7-12(17(22)23)8-14(13)20-16;1-10(2)14-15(19-6-4-3-5-7-19)18-13-9-11(16(20)21)8-12(13)17-14/h4-11,13H,12H2,1-3H3,(H,26,27);4-7,9-10H,8H2,1-3H3,(H,25,26);4-7,10H,1-3,8-9H2,(H,23,24);4-9H,1-3H3,(H,22,23);4-7,9-10H,8H2,1-3H3,(H,22,23);8,10H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyNJPRBDKCUQFSRA-UHFFFAOYSA-N
MW1995.20 g/mol
LogP20.37
Rot. Bonds22

About 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-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;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid (PubChem CID 159799605) has the molecular formula C110H110F3N19O15 and a molecular weight of 1995.20 g/mol. Its IUPAC name is 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid
PubChem CID159799605
Molecular FormulaC110H110F3N19O15
Molecular Weight1995.20 g/mol
Exact Mass1993.84
IUPAC Name2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2c(nc1-c1cc3cc(F)ccc3o1)C=C(C(=O)O)C2.CC(C)N(C)c1nc2c(nc1-c1ccc3ccccc3c1)C=C(C(=O)O)C2.CC(C)N(C)c1nc2c(nc1-c1cccnc1)C=C(C(=O)O)C2.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1.CC(C)c1nc2c(nc1N1CCCCC1)CC(C(=O)O)=C2.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2o1
InChIInChI=1S/C22H21N3O2.C20H18FN3O3.C18H16FN3O3.C17H16FN3O3.C17H18N4O2.C16H21N3O2/c1-13(2)25(3)21-20(16-9-8-14-6-4-5-7-15(14)10-16)23-18-11-17(22(26)27)12-19(18)24-21;1-10(2)24(3)19-18(17-9-11-6-13(21)4-5-16(11)27-17)22-14-7-12(20(25)26)8-15(14)23-19;19-12-6-4-11(5-7-12)15-16(22-8-2-1-3-9-22)21-17-13(20-15)10-14(25-17)18(23)24;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;1-10(2)21(3)16-15(11-5-4-6-18-9-11)19-13-7-12(17(22)23)8-14(13)20-16;1-10(2)14-15(19-6-4-3-5-7-19)18-13-9-11(16(20)21)8-12(13)17-14/h4-11,13H,12H2,1-3H3,(H,26,27);4-7,9-10H,8H2,1-3H3,(H,25,26);4-7,10H,1-3,8-9H2,(H,23,24);4-9H,1-3H3,(H,22,23);4-7,9-10H,8H2,1-3H3,(H,22,23);8,10H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyNJPRBDKCUQFSRA-UHFFFAOYSA-N
XLogP20.37
TPSA450.23 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001995.20
LogP ≤ 520.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

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

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Launch Full Analysis

Related Compounds

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
11-[3-[4-[4-[4-Phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 157238181
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
11-[3-[4-[3-[4-Phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;3-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 157509052
7-(10-Dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g]pteridine;13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;13-(10-naphthalen-2-ylanthracen-9-yl)-17-oxa-2,4,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaene;13-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-17-oxa-2,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;13-[10-(17-oxa-2,6,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl)anthracen-9-yl]-17-oxa-2,6,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 157647697
6-[4-[7-Tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-fluoropyridine-2-carboxylic acid;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone;5-[1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-6-methylpyrazine-2-carboxylic acid;[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]methanone
CID 157735037
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
11-[3-[4-[4-Phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 158100991
11-[4-[4-[3-[4-Phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 158242585

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid (CID 159799605) is 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid is CC(C)N(C)c1nc2c(nc1-c1cc3cc(F)ccc3o1)C=C(C(=O)O)C2.CC(C)N(C)c1nc2c(nc1-c1ccc3ccccc3c1)C=C(C(=O)O)C2.CC(C)N(C)c1nc2c(nc1-c1cccnc1)C=C(C(=O)O)C2.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1.CC(C)c1nc2c(nc1N1CCCCC1)CC(C(=O)O)=C2.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2o1.
What is the InChIKey of 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid?
The InChIKey is NJPRBDKCUQFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C20H18FN3O3.C18H16FN3O3.C17H16FN3O3.C17H18N4O2.C16H21N3O2/c1-13(2)25(3)21-20(16-9-8-14-6-4-5-7-15(14)10-16)23-18-11-17(22(26)27)12-19(18)24-21;1-10(2)24(3)19-18(17-9-11-6-13(21)4-5-16(11)27-17)22-14-7-12(20(25)26)8-15(14)23-19;19-12-6-4-11(5-7-12)15-16(22-8-2-1-3-9-22)21-17-13(20-15)10-14(25-17)18(23)24;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;1-10(2)21(3)16-15(11-5-4-6-18-9-11)19-13-7-12(17(22)23)8-14(13)20-16;1-10(2)14-15(19-6-4-3-5-7-19)18-13-9-11(16(20)21)8-12(13)17-14/h4-11,13H,12H2,1-3H3,(H,26,27);4-7,9-10H,8H2,1-3H3,(H,25,26);4-7,10H,1-3,8-9H2,(H,23,24);4-9H,1-3H3,(H,22,23);4-7,9-10H,8H2,1-3H3,(H,22,23);8,10H,3-7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-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;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid has a molecular weight of 1995.20 g/mol, XLogP of 20.37, 22 rotatable bonds, 6 hydrogen bond donors, and 28 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]-5H-cyclopenta[b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-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-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 159799605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).