2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid

C100H95F4N21O14S6 — CID 160628243

IUPAC2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1C1CCCC1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1.CC(C)c1nc2cc(C(=O)O)sc2nc1N1CCOCC1.CN(c1ccccc1)c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2s1
InChIInChI=1S/C19H13FN4O2S.C19H16FN3O3S.C16H13FN4O2S.C16H15FN4O2S.C16H21N3O2S.C14H17N3O3S/c1-24(13-5-3-2-4-6-13)16-14(11-7-9-12(20)10-8-11)21-15-17(23-16)27-18(22-15)19(25)26;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;17-10-5-3-9(4-6-10)11-13(21-7-1-2-8-21)20-14-12(18-11)19-15(24-14)16(22)23;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)19(3)14-13(10-6-4-5-7-10)17-11-8-12(16(20)21)22-15(11)18-14;1-8(2)11-12(17-3-5-20-6-4-17)16-13-9(15-11)7-10(21-13)14(18)19/h2-10H,1H3,(H,25,26);4-9H,1-3H3,(H,24,25);3-6H,1-2,7-8H2,(H,22,23);4-8H,1-3H3,(H,22,23);8-10H,4-7H2,1-3H3,(H,20,21);7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyRHOWZDKAOMRSDP-UHFFFAOYSA-N
MW2083.39 g/mol
LogP22.01
Rot. Bonds22

About 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid

2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 160628243) has the molecular formula C100H95F4N21O14S6 and a molecular weight of 2083.39 g/mol. Its IUPAC name is 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid
PubChem CID160628243
Molecular FormulaC100H95F4N21O14S6
Molecular Weight2083.39 g/mol
Exact Mass2081.56
IUPAC Name2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1C1CCCC1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1.CC(C)c1nc2cc(C(=O)O)sc2nc1N1CCOCC1.CN(c1ccccc1)c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2s1
InChIInChI=1S/C19H13FN4O2S.C19H16FN3O3S.C16H13FN4O2S.C16H15FN4O2S.C16H21N3O2S.C14H17N3O3S/c1-24(13-5-3-2-4-6-13)16-14(11-7-9-12(20)10-8-11)21-15-17(23-16)27-18(22-15)19(25)26;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;17-10-5-3-9(4-6-10)11-13(21-7-1-2-8-21)20-14-12(18-11)19-15(24-14)16(22)23;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)19(3)14-13(10-6-4-5-7-10)17-11-8-12(16(20)21)22-15(11)18-14;1-8(2)11-12(17-3-5-20-6-4-17)16-13-9(15-11)7-10(21-13)14(18)19/h2-10H,1H3,(H,25,26);4-9H,1-3H3,(H,24,25);3-6H,1-2,7-8H2,(H,22,23);4-8H,1-3H3,(H,22,23);8-10H,4-7H2,1-3H3,(H,20,21);7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyRHOWZDKAOMRSDP-UHFFFAOYSA-N
XLogP22.01
TPSA458.96 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002083.39
LogP ≤ 522.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid with MolForge

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Related Compounds

2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid
CID 162084869
2-Cyclopentyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylthieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-thiophen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-piperidin-1-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 157075369
2-cyclopentyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-thiophen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 157342679
5-(2,4-Dimethylfuran-3-yl)-8-[(2-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-heptan-4-yl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-11-one;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[phenyl(1,3-thiazol-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[phenyl(1,3-thiazol-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[11-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole
CID 157433438
5-(1,3-Benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclopentyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-morpholin-4-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
CID 157440118
2-cyclopentyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-morpholin-4-yl-[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;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-thiophen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 157530903
5-cyclopentyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylthieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid;6-morpholin-4-yl-5-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid
CID 157655553
Benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;dibenzofuran;dibenzothiophene;ethane;9-phenylcarbazole;bis(5-phenylpyrido[3,2-b]indole);bis(5-phenylpyrido[4,3-b]indole);9-phenylpyrido[2,3-b]indole;9-phenylpyrido[3,4-b]indole;pyridine
CID 157716900
2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-thiophen-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid
CID 157899039
3-(Azepan-1-yl)-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxylic acid
CID 158802876
3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)thieno[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-(N-methylanilino)thieno[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 159051138
[1]Benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine
CID 160006750

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid (CID 160628243) is 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid is CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1-c1cc2cc(F)ccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)cc2nc1C1CCCC1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1.CC(C)c1nc2cc(C(=O)O)sc2nc1N1CCOCC1.CN(c1ccccc1)c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2s1.
What is the InChIKey of 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is RHOWZDKAOMRSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S.C19H16FN3O3S.C16H13FN4O2S.C16H15FN4O2S.C16H21N3O2S.C14H17N3O3S/c1-24(13-5-3-2-4-6-13)16-14(11-7-9-12(20)10-8-11)21-15-17(23-16)27-18(22-15)19(25)26;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;17-10-5-3-9(4-6-10)11-13(21-7-1-2-8-21)20-14-12(18-11)19-15(24-14)16(22)23;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)19(3)14-13(10-6-4-5-7-10)17-11-8-12(16(20)21)22-15(11)18-14;1-8(2)11-12(17-3-5-20-6-4-17)16-13-9(15-11)7-10(21-13)14(18)19/h2-10H,1H3,(H,25,26);4-9H,1-3H3,(H,24,25);3-6H,1-2,7-8H2,(H,22,23);4-8H,1-3H3,(H,22,23);8-10H,4-7H2,1-3H3,(H,20,21);7-8H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid?
2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 2083.39 g/mol, XLogP of 22.01, 22 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid;5-(4-fluorophenyl)-6-(N-methylanilino)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylthieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 160628243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).