5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid

C102H101F2N25O12S6 — CID 159375216

IUPAC5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cccnc1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1C1CCCCC1.CC(C)c1nc2nc(C(=O)O)sc2nc1N1CCCCC1.CN(c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1)C1CC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2s1
InChIInChI=1S/C21H15FN4O2S.C20H18N4O2S.C16H13FN4O2S.C16H22N4O2S.C15H15N5O2S.C14H18N4O2S/c22-14-9-7-13(8-10-14)16-18(25-19-17(23-16)24-20(29-19)21(27)28)26-11-3-5-12-4-1-2-6-15(12)26;1-11(2)24(3)17-15(14-9-8-12-6-4-5-7-13(12)10-14)21-16-18(23-17)27-19(22-16)20(25)26;1-21(10-6-7-10)13-11(8-2-4-9(17)5-3-8)18-12-14(20-13)24-15(19-12)16(22)23;1-9(2)20(3)13-11(10-7-5-4-6-8-10)17-12-14(19-13)23-15(18-12)16(21)22;1-8(2)20(3)12-10(9-5-4-6-16-7-9)17-11-13(19-12)23-14(18-11)15(21)22;1-8(2)9-11(18-6-4-3-5-7-18)17-12-10(15-9)16-13(21-12)14(19)20/h1-2,4,6-10H,3,5,11H2,(H,27,28);4-11H,1-3H3,(H,25,26);2-5,10H,6-7H2,1H3,(H,22,23);9-10H,4-8H2,1-3H3,(H,21,22);4-8H,1-3H3,(H,21,22);8H,3-7H2,1-2H3,(H,19,20)
InChIKeyLKFOGQVJOUZWAM-UHFFFAOYSA-N
MW2099.49 g/mol
LogP21.58
Rot. Bonds22

About 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid

5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid (PubChem CID 159375216) has the molecular formula C102H101F2N25O12S6 and a molecular weight of 2099.49 g/mol. Its IUPAC name is 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
PubChem CID159375216
Molecular FormulaC102H101F2N25O12S6
Molecular Weight2099.49 g/mol
Exact Mass2097.64
IUPAC Name5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cccnc1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1C1CCCCC1.CC(C)c1nc2nc(C(=O)O)sc2nc1N1CCCCC1.CN(c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1)C1CC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2s1
InChIInChI=1S/C21H15FN4O2S.C20H18N4O2S.C16H13FN4O2S.C16H22N4O2S.C15H15N5O2S.C14H18N4O2S/c22-14-9-7-13(8-10-14)16-18(25-19-17(23-16)24-20(29-19)21(27)28)26-11-3-5-12-4-1-2-6-15(12)26;1-11(2)24(3)17-15(14-9-8-12-6-4-5-7-13(12)10-14)21-16-18(23-17)27-19(22-16)20(25)26;1-21(10-6-7-10)13-11(8-2-4-9(17)5-3-8)18-12-14(20-13)24-15(19-12)16(22)23;1-9(2)20(3)13-11(10-7-5-4-6-8-10)17-12-14(19-13)23-15(18-12)16(21)22;1-8(2)20(3)12-10(9-5-4-6-16-7-9)17-11-13(19-12)23-14(18-11)15(21)22;1-8(2)9-11(18-6-4-3-5-7-18)17-12-10(15-9)16-13(21-12)14(19)20/h1-2,4,6-10H,3,5,11H2,(H,27,28);4-11H,1-3H3,(H,25,26);2-5,10H,6-7H2,1H3,(H,22,23);9-10H,4-8H2,1-3H3,(H,21,22);4-8H,1-3H3,(H,21,22);8H,3-7H2,1-2H3,(H,19,20)
InChIKeyLKFOGQVJOUZWAM-UHFFFAOYSA-N
XLogP21.58
TPSA488.15 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002099.49
LogP ≤ 521.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

(1R,5S)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-1-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methylnaphthalen-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159386052
6-(Azepan-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
CID 157350059
2-[4-[4,6-Bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[2,5-dimethyl-3,4,6-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[2,5-dimethyl-3,4,6-tris([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;3-(2-methylphenyl)-2-[3,5,6-tris[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]imidazo[4,5-b]pyridine
CID 159765499
6-(Azepan-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[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-[methyl(pyridin-3-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
CID 160367742
6-(Azepan-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[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-[methyl(pyridin-3-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
CID 160737475
(5R)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 160893535
(2R)-2-[(3S,4S)-3-[[4-(2-benzyl-4-methyl-1,3-thiazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-cyclopropylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-(2-benzyl-4-methyl-1,3-thiazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-4-methylpentanoic acid;(2R)-2-[(3S,4S)-3-[[4-(2-benzyl-4-methyl-1,3-thiazol-5-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(5,7-dimethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;methane
CID 161034164

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
The IUPAC name of 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid (CID 159375216) is 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid is CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cccnc1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1C1CCCCC1.CC(C)c1nc2nc(C(=O)O)sc2nc1N1CCCCC1.CN(c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1)C1CC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2s1.
What is the InChIKey of 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
The InChIKey is LKFOGQVJOUZWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2S.C20H18N4O2S.C16H13FN4O2S.C16H22N4O2S.C15H15N5O2S.C14H18N4O2S/c22-14-9-7-13(8-10-14)16-18(25-19-17(23-16)24-20(29-19)21(27)28)26-11-3-5-12-4-1-2-6-15(12)26;1-11(2)24(3)17-15(14-9-8-12-6-4-5-7-13(12)10-14)21-16-18(23-17)27-19(22-16)20(25)26;1-21(10-6-7-10)13-11(8-2-4-9(17)5-3-8)18-12-14(20-13)24-15(19-12)16(22)23;1-9(2)20(3)13-11(10-7-5-4-6-8-10)17-12-14(19-13)23-15(18-12)16(21)22;1-8(2)20(3)12-10(9-5-4-6-16-7-9)17-11-13(19-12)23-14(18-11)15(21)22;1-8(2)9-11(18-6-4-3-5-7-18)17-12-10(15-9)16-13(21-12)14(19)20/h1-2,4,6-10H,3,5,11H2,(H,27,28);4-11H,1-3H3,(H,25,26);2-5,10H,6-7H2,1H3,(H,22,23);9-10H,4-8H2,1-3H3,(H,21,22);4-8H,1-3H3,(H,21,22);8H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid has a molecular weight of 2099.49 g/mol, XLogP of 21.58, 22 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclopropyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid is sourced from PubChem (CID 159375216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).