4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine

C74H47BBr2F3N15O4 — CID 158608696

IUPAC4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine
SMILESBrc1cncc2cnccc12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cncc12.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.[O-][n+]1ccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cncc2c1.[O-][n+]1ccc2c(Br)cncc2c1
InChIInChI=1S/C22H14FN5.C22H13FN4O.C14H10BFN2O2.C8H5BrN2O.C8H5BrN2/c23-19-6-2-1-4-15(19)20-10-16(14-5-3-8-27-22(14)28-20)17-11-25-12-18-13(17)7-9-26-21(18)24;23-20-6-2-1-4-17(20)21-10-18(16-5-3-8-25-22(16)26-21)19-12-24-11-14-13-27(28)9-7-15(14)19;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;9-8-4-10-3-6-5-11(12)2-1-7(6)8;9-8-5-11-4-6-3-10-2-1-7(6)8/h1-12H,(H2,24,26);1-13H;1-8,19-20H;1-5H;1-5H
InChIKeyHWOFCOUFLZKJMW-UHFFFAOYSA-N
MW1437.90 g/mol
LogP14.05
Rot. Bonds6

About 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine

4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine (PubChem CID 158608696) has the molecular formula C74H47BBr2F3N15O4 and a molecular weight of 1437.90 g/mol. Its IUPAC name is 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine
PubChem CID158608696
Molecular FormulaC74H47BBr2F3N15O4
Molecular Weight1437.90 g/mol
Exact Mass1435.23
IUPAC Name4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine
SMILESBrc1cncc2cnccc12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cncc12.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.[O-][n+]1ccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cncc2c1.[O-][n+]1ccc2c(Br)cncc2c1
InChIInChI=1S/C22H14FN5.C22H13FN4O.C14H10BFN2O2.C8H5BrN2O.C8H5BrN2/c23-19-6-2-1-4-15(19)20-10-16(14-5-3-8-27-22(14)28-20)17-11-25-12-18-13(17)7-9-26-21(18)24;23-20-6-2-1-4-17(20)21-10-18(16-5-3-8-25-22(16)26-21)19-12-24-11-14-13-27(28)9-7-15(14)19;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;9-8-4-10-3-6-5-11(12)2-1-7(6)8;9-8-5-11-4-6-3-10-2-1-7(6)8/h1-12H,(H2,24,26);1-13H;1-8,19-20H;1-5H;1-5H
InChIKeyHWOFCOUFLZKJMW-UHFFFAOYSA-N
XLogP14.05
TPSA275.04 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.90
LogP ≤ 514.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine with MolForge

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Related Compounds

5-(3-Bromo-phenyl)-6-(4-fluoro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11249902
5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11752435
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
2-(2-Fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine
CID 68265049
4-Bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine
CID 68621298
5-(3-Bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 70303352
4-Bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-6-oxido-2,6-naphthyridin-6-ium
CID 89517762
[4-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]boronic acid
CID 89958901
5-(3-Bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-2-amine
CID 141306268
[1-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]-methylidene-lambda3-bromane
CID 164051227
3-[5-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine
CID 53345827
3-[5-[2-(2,5-Difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine
CID 53345828

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine?
The IUPAC name of 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine (CID 158608696) is 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine.
What is the SMILES notation for 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine?
The canonical SMILES for 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine is Brc1cncc2cnccc12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cncc12.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.[O-][n+]1ccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cncc2c1.[O-][n+]1ccc2c(Br)cncc2c1.
What is the InChIKey of 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine?
The InChIKey is HWOFCOUFLZKJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5.C22H13FN4O.C14H10BFN2O2.C8H5BrN2O.C8H5BrN2/c23-19-6-2-1-4-15(19)20-10-16(14-5-3-8-27-22(14)28-20)17-11-25-12-18-13(17)7-9-26-21(18)24;23-20-6-2-1-4-17(20)21-10-18(16-5-3-8-25-22(16)26-21)19-12-24-11-14-13-27(28)9-7-15(14)19;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;9-8-4-10-3-6-5-11(12)2-1-7(6)8;9-8-5-11-4-6-3-10-2-1-7(6)8/h1-12H,(H2,24,26);1-13H;1-8,19-20H;1-5H;1-5H.
What are the key properties of 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine?
4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine has a molecular weight of 1437.90 g/mol, XLogP of 14.05, 6 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine is sourced from PubChem (CID 158608696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).