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

C98H99F3N18O16S4 — CID 157075369

IUPAC2-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
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccs1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCC1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2s1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2s1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2s1
InChIInChI=1S/C18H16FN3O2S.C17H14FN3O3S.C17H14FN3O2S.C16H21N3O3.C15H15N3O3S.C15H19N3O3/c19-12-6-4-11(5-7-12)15-16(22-8-2-1-3-9-22)21-17-13(20-15)10-14(25-17)18(23)24;18-11-3-1-10(2-4-11)14-15(21-5-7-24-8-6-21)20-16-12(19-14)9-13(25-16)17(22)23;18-11-5-3-10(4-6-11)14-15(21-7-1-2-8-21)20-16-12(19-14)9-13(24-16)17(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)18(3)13-12(11-5-4-6-22-11)16-9-7-10(15(19)20)21-14(9)17-13;1-9(2)12-13(18-6-4-3-5-7-18)17-14-10(16-12)8-11(21-14)15(19)20/h4-7,10H,1-3,8-9H2,(H,23,24);1-4,9H,5-8H2,(H,22,23);3-6,9H,1-2,7-8H2,(H,22,23);8-10H,4-7H2,1-3H3,(H,20,21);4-8H,1-3H3,(H,19,20);8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyACXIWKOSQUCGJW-UHFFFAOYSA-N
MW1970.24 g/mol
LogP20.97
Rot. Bonds20

About 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

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 (PubChem CID 157075369) has the molecular formula C98H99F3N18O16S4 and a molecular weight of 1970.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157075369
Molecular FormulaC98H99F3N18O16S4
Molecular Weight1970.24 g/mol
Exact Mass1968.63
IUPAC Name2-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
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccs1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCC1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2s1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2s1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2s1
InChIInChI=1S/C18H16FN3O2S.C17H14FN3O3S.C17H14FN3O2S.C16H21N3O3.C15H15N3O3S.C15H19N3O3/c19-12-6-4-11(5-7-12)15-16(22-8-2-1-3-9-22)21-17-13(20-15)10-14(25-17)18(23)24;18-11-3-1-10(2-4-11)14-15(21-5-7-24-8-6-21)20-16-12(19-14)9-13(25-16)17(22)23;18-11-5-3-10(4-6-11)14-15(21-7-1-2-8-21)20-16-12(19-14)9-13(24-16)17(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)18(3)13-12(11-5-4-6-22-11)16-9-7-10(15(19)20)21-14(9)17-13;1-9(2)12-13(18-6-4-3-5-7-18)17-14-10(16-12)8-11(21-14)15(19)20/h4-7,10H,1-3,8-9H2,(H,23,24);1-4,9H,5-8H2,(H,22,23);3-6,9H,1-2,7-8H2,(H,22,23);8-10H,4-7H2,1-3H3,(H,20,21);4-8H,1-3H3,(H,19,20);8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyACXIWKOSQUCGJW-UHFFFAOYSA-N
XLogP20.97
TPSA446.57 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001970.24
LogP ≤ 520.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

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
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
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
2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid
CID 158393559
3-(azepan-1-yl)-2-(4-fluorophenyl)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;2-(1H-inden-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
CID 158983033
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
2-Cyclopentyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-pyrrolidin-1-ylfuro[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 160437167
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
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-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 160851092
3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-phenylfuro[2,3-b]pyrazine-6-carboxylic acid;3-piperidin-1-yl-2-propan-2-yl-5H-cyclopenta[b]pyrazine-6-carboxylic acid
CID 161783168
6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-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-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 161810334

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccs1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCC1.CC(C)c1nc2cc(C(=O)O)oc2nc1N1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2s1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2s1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2s1.
What is the InChIKey of 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?
The InChIKey is ACXIWKOSQUCGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S.C17H14FN3O3S.C17H14FN3O2S.C16H21N3O3.C15H15N3O3S.C15H19N3O3/c19-12-6-4-11(5-7-12)15-16(22-8-2-1-3-9-22)21-17-13(20-15)10-14(25-17)18(23)24;18-11-3-1-10(2-4-11)14-15(21-5-7-24-8-6-21)20-16-12(19-14)9-13(25-16)17(22)23;18-11-5-3-10(4-6-11)14-15(21-7-1-2-8-21)20-16-12(19-14)9-13(24-16)17(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)18(3)13-12(11-5-4-6-22-11)16-9-7-10(15(19)20)21-14(9)17-13;1-9(2)12-13(18-6-4-3-5-7-18)17-14-10(16-12)8-11(21-14)15(19)20/h4-7,10H,1-3,8-9H2,(H,23,24);1-4,9H,5-8H2,(H,22,23);3-6,9H,1-2,7-8H2,(H,22,23);8-10H,4-7H2,1-3H3,(H,20,21);4-8H,1-3H3,(H,19,20);8-9H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 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?
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 has a molecular weight of 1970.24 g/mol, XLogP of 20.97, 20 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157075369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).