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

C103H90F4N22O19S — CID 157342679

About 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

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 (PubChem CID 157342679) has the molecular formula C103H90F4N22O19S and a molecular weight of 2048.05 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157342679
• Molecular Formula: C103H90F4N22O19S
• Molecular Weight: 2048.05 g/mol
• Exact Mass: 2046.64
• IUPAC Name: 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
• SMILES: CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccs1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCC1.CN(c1ccccc1)c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2o1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2o1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2o1
• InChI: InChI=1S/C21H15FN4O3.C19H13FN4O3.C16H13FN4O4.C16H13FN4O3.C16H21N3O3.C15H15N3O3S/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;1-24(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;17-10-3-1-9(2-4-10)11-13(21-5-7-24-8-6-21)20-14-12(18-11)19-15(25-14)16(22)23;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;1-9(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/h1-2,4,6-10H,3,5,11H2,(H,27,28);2-10H,1H3,(H,25,26);1-4H,5-8H2,(H,22,23);3-6H,1-2,7-8H2,(H,22,23);8-10H,4-7H2,1-3H3,(H,20,21);4-8H,1-3H3,(H,19,20)
• InChIKey: BGOVADMUMSQMEZ-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 537.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2048.05
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

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;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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccs1.CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1C1CCCC1.CN(c1ccccc1)c1nc2oc(C(=O)O)nc2nc1-c1ccc(F)cc1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2o1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2o1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2o1.

What is the InChIKey of 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?

The InChIKey is BGOVADMUMSQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3.C19H13FN4O3.C16H13FN4O4.C16H13FN4O3.C16H21N3O3.C15H15N3O3S/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;1-24(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;17-10-3-1-9(2-4-10)11-13(21-5-7-24-8-6-21)20-14-12(18-11)19-15(25-14)16(22)23;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;1-9(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/h1-2,4,6-10H,3,5,11H2,(H,27,28);2-10H,1H3,(H,25,26);1-4H,5-8H2,(H,22,23);3-6H,1-2,7-8H2,(H,22,23);8-10H,4-7H2,1-3H3,(H,20,21);4-8H,1-3H3,(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;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?

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 has a molecular weight of 2048.05 g/mol, XLogP of 19.69, 21 rotatable bonds, 6 hydrogen bond donors, and 36 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;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 is sourced from PubChem (CID 157342679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).