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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid

C55H58FN9O10 — CID 158267666

IUPAC3-(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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1
InChIInChI=1S/C19H18FN3O3.C19H17N3O4.C17H23N3O3/c20-13-7-5-12(6-8-13)16-17(23-9-3-1-2-4-10-23)22-18-14(21-16)11-15(26-18)19(24)25;1-10(2)22(3)17-16(14-8-11-6-4-5-7-13(11)25-14)20-12-9-15(19(23)24)26-18(12)21-17;1-10(2)20(3)15-14(11-7-5-4-6-8-11)18-12-9-13(17(21)22)23-16(12)19-15/h5-8,11H,1-4,9-10H2,(H,24,25);4-10H,1-3H3,(H,23,24);9-11H,4-8H2,1-3H3,(H,21,22)
InChIKeyGIQOCBROMBTGNE-UHFFFAOYSA-N
MW1024.12 g/mol
LogP12.10
Rot. Bonds11

About 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid

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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 158267666) has the molecular formula C55H58FN9O10 and a molecular weight of 1024.12 g/mol. Its IUPAC name is 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name3-(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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
PubChem CID158267666
Molecular FormulaC55H58FN9O10
Molecular Weight1024.12 g/mol
Exact Mass1023.43
IUPAC Name3-(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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1
InChIInChI=1S/C19H18FN3O3.C19H17N3O4.C17H23N3O3/c20-13-7-5-12(6-8-13)16-17(23-9-3-1-2-4-10-23)22-18-14(21-16)11-15(26-18)19(24)25;1-10(2)22(3)17-16(14-8-11-6-4-5-7-13(11)25-14)20-12-9-15(19(23)24)26-18(12)21-17;1-10(2)20(3)15-14(11-7-5-4-6-8-11)18-12-9-13(17(21)22)23-16(12)19-15/h5-8,11H,1-4,9-10H2,(H,24,25);4-10H,1-3H3,(H,23,24);9-11H,4-8H2,1-3H3,(H,21,22)
InChIKeyGIQOCBROMBTGNE-UHFFFAOYSA-N
XLogP12.10
TPSA251.52 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.12
LogP ≤ 512.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid with MolForge

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Related Compounds

2-(4-Fluorophenyl)-3-pyrrolidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 60197988
2-(4-Fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 70659365
2-(4-Fluorophenyl)-3-morpholin-4-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 70659366
2-(4-fluorophenyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
CID 70659376
3-[Cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
CID 70659481
2-(4-Fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
CID 70659549
3-(Azepan-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
CID 70659553
3-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
CID 70659650
2-(4-Fluorophenyl)-3-[methyl(pyridin-3-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
CID 70659652
3-[Cyclohexyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
CID 70659712
2-(5-Fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
CID 70659714
6-[4-[7-Tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-fluoropyridine-2-carboxylic acid
CID 134296866

Frequently Asked Questions

What is the IUPAC name of 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid (CID 158267666) is 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid is CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCCC1.O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2o1.
What is the InChIKey of 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is GIQOCBROMBTGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3.C19H17N3O4.C17H23N3O3/c20-13-7-5-12(6-8-13)16-17(23-9-3-1-2-4-10-23)22-18-14(21-16)11-15(26-18)19(24)25;1-10(2)22(3)17-16(14-8-11-6-4-5-7-13(11)25-14)20-12-9-15(19(23)24)26-18(12)21-17;1-10(2)20(3)15-14(11-7-5-4-6-8-11)18-12-9-13(17(21)22)23-16(12)19-15/h5-8,11H,1-4,9-10H2,(H,24,25);4-10H,1-3H3,(H,23,24);9-11H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 1024.12 g/mol, XLogP of 12.10, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-cyclohexyl-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 158267666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).