2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid

C100H95Br3ClF4N11O12 — CID 158935269

IUPAC2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid
SMILESCC(C)(C)OC(=O)CCCCc1cc2cc(Br)cnc2nc1-c1ccc(F)cc1.CC(C)(C)OC(=O)CCCCc1cc2cccnc2nc1-c1ccc(F)cc1.C[C@@H](NC(=O)c1cnc2nc(-c3ccc(F)cc3)c(CCCCC(=O)O)cc2c1)c1ccc(Cl)cc1.Nc1ncc(Br)cc1C=O.O=C(O)CCCCc1cc2cc(Br)cnc2nc1-c1ccc(F)cc1.O=C=O
InChIInChI=1S/C28H25ClFN3O3.C23H24BrFN2O2.C23H25FN2O2.C19H16BrFN2O2.C6H5BrN2O.CO2/c1-17(18-6-10-23(29)11-7-18)32-28(36)22-15-21-14-20(4-2-3-5-25(34)35)26(33-27(21)31-16-22)19-8-12-24(30)13-9-19;1-23(2,3)29-20(28)7-5-4-6-16-12-17-13-18(24)14-26-22(17)27-21(16)15-8-10-19(25)11-9-15;1-23(2,3)28-20(27)9-5-4-7-17-15-18-8-6-14-25-22(18)26-21(17)16-10-12-19(24)13-11-16;20-15-10-14-9-13(3-1-2-4-17(24)25)18(23-19(14)22-11-15)12-5-7-16(21)8-6-12;7-5-1-4(3-10)6(8)9-2-5;2-1-3/h6-17H,2-5H2,1H3,(H,32,36)(H,34,35);8-14H,4-7H2,1-3H3;6,8,10-15H,4-5,7,9H2,1-3H3;5-11H,1-4H2,(H,24,25);1-3H,(H2,8,9);/t17-;;;;;/m1...../s1
InChIKeyJJOKXMQHJGQDJL-BATJUKGTSA-N
MW1994.08 g/mol
LogP23.77
Rot. Bonds28

About 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid

2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid (PubChem CID 158935269) has the molecular formula C100H95Br3ClF4N11O12 and a molecular weight of 1994.08 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid
PubChem CID158935269
Molecular FormulaC100H95Br3ClF4N11O12
Molecular Weight1994.08 g/mol
Exact Mass1989.43
IUPAC Name2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid
SMILESCC(C)(C)OC(=O)CCCCc1cc2cc(Br)cnc2nc1-c1ccc(F)cc1.CC(C)(C)OC(=O)CCCCc1cc2cccnc2nc1-c1ccc(F)cc1.C[C@@H](NC(=O)c1cnc2nc(-c3ccc(F)cc3)c(CCCCC(=O)O)cc2c1)c1ccc(Cl)cc1.Nc1ncc(Br)cc1C=O.O=C(O)CCCCc1cc2cc(Br)cnc2nc1-c1ccc(F)cc1.O=C=O
InChIInChI=1S/C28H25ClFN3O3.C23H24BrFN2O2.C23H25FN2O2.C19H16BrFN2O2.C6H5BrN2O.CO2/c1-17(18-6-10-23(29)11-7-18)32-28(36)22-15-21-14-20(4-2-3-5-25(34)35)26(33-27(21)31-16-22)19-8-12-24(30)13-9-19;1-23(2,3)29-20(28)7-5-4-6-16-12-17-13-18(24)14-26-22(17)27-21(16)15-8-10-19(25)11-9-15;1-23(2,3)28-20(27)9-5-4-7-17-15-18-8-6-14-25-22(18)26-21(17)16-10-12-19(24)13-11-16;20-15-10-14-9-13(3-1-2-4-17(24)25)18(23-19(14)22-11-15)12-5-7-16(21)8-6-12;7-5-1-4(3-10)6(8)9-2-5;2-1-3/h6-17H,2-5H2,1H3,(H,32,36)(H,34,35);8-14H,4-7H2,1-3H3;6,8,10-15H,4-5,7,9H2,1-3H3;5-11H,1-4H2,(H,24,25);1-3H,(H2,8,9);/t17-;;;;;/m1...../s1
InChIKeyJJOKXMQHJGQDJL-BATJUKGTSA-N
XLogP23.77
TPSA349.54 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001994.08
LogP ≤ 523.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid?
The IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid (CID 158935269) is 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid.
What is the SMILES notation for 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid?
The canonical SMILES for 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid is CC(C)(C)OC(=O)CCCCc1cc2cc(Br)cnc2nc1-c1ccc(F)cc1.CC(C)(C)OC(=O)CCCCc1cc2cccnc2nc1-c1ccc(F)cc1.C[C@@H](NC(=O)c1cnc2nc(-c3ccc(F)cc3)c(CCCCC(=O)O)cc2c1)c1ccc(Cl)cc1.Nc1ncc(Br)cc1C=O.O=C(O)CCCCc1cc2cc(Br)cnc2nc1-c1ccc(F)cc1.O=C=O.
What is the InChIKey of 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid?
The InChIKey is JJOKXMQHJGQDJL-BATJUKGTSA-N. The full InChI is InChI=1S/C28H25ClFN3O3.C23H24BrFN2O2.C23H25FN2O2.C19H16BrFN2O2.C6H5BrN2O.CO2/c1-17(18-6-10-23(29)11-7-18)32-28(36)22-15-21-14-20(4-2-3-5-25(34)35)26(33-27(21)31-16-22)19-8-12-24(30)13-9-19;1-23(2,3)29-20(28)7-5-4-6-16-12-17-13-18(24)14-26-22(17)27-21(16)15-8-10-19(25)11-9-15;1-23(2,3)28-20(27)9-5-4-7-17-15-18-8-6-14-25-22(18)26-21(17)16-10-12-19(24)13-11-16;20-15-10-14-9-13(3-1-2-4-17(24)25)18(23-19(14)22-11-15)12-5-7-16(21)8-6-12;7-5-1-4(3-10)6(8)9-2-5;2-1-3/h6-17H,2-5H2,1H3,(H,32,36)(H,34,35);8-14H,4-7H2,1-3H3;6,8,10-15H,4-5,7,9H2,1-3H3;5-11H,1-4H2,(H,24,25);1-3H,(H2,8,9);/t17-;;;;;/m1...../s1.
What are the key properties of 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid?
2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid has a molecular weight of 1994.08 g/mol, XLogP of 23.77, 28 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid is sourced from PubChem (CID 158935269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).