6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten

C38H52BBrN8O4W — CID 161197538

IUPAC6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten
SMILESBrc1ccc2c(n1)CCCN2.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.[W].c1cc(-c2ccc3c(n2)CCCN3)n(C2CCCCO2)n1
InChIInChI=1S/C16H20N4O.C14H23BN2O3.C8H9BrN2.W/c1-2-11-21-16(5-1)20-15(8-10-18-20)14-7-6-12-13(19-14)4-3-9-17-12;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;9-8-4-3-6-7(11-8)2-1-5-10-6;/h6-8,10,16-17H,1-5,9,11H2;8-9,12H,5-7,10H2,1-4H3;3-4,10H,1-2,5H2;
InChIKeyUUNVCZPTPCTTRV-UHFFFAOYSA-N
MW959.44 g/mol
LogP7.08
Rot. Bonds4

About 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten

6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten (PubChem CID 161197538) has the molecular formula C38H52BBrN8O4W and a molecular weight of 959.44 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten.

Molecular Properties

Compound Name6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten
PubChem CID161197538
Molecular FormulaC38H52BBrN8O4W
Molecular Weight959.44 g/mol
Exact Mass958.29
IUPAC Name6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten
SMILESBrc1ccc2c(n1)CCCN2.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.[W].c1cc(-c2ccc3c(n2)CCCN3)n(C2CCCCO2)n1
InChIInChI=1S/C16H20N4O.C14H23BN2O3.C8H9BrN2.W/c1-2-11-21-16(5-1)20-15(8-10-18-20)14-7-6-12-13(19-14)4-3-9-17-12;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;9-8-4-3-6-7(11-8)2-1-5-10-6;/h6-8,10,16-17H,1-5,9,11H2;8-9,12H,5-7,10H2,1-4H3;3-4,10H,1-2,5H2;
InChIKeyUUNVCZPTPCTTRV-UHFFFAOYSA-N
XLogP7.08
TPSA122.40 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.44
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten with MolForge

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Related Compounds

5-Bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2,5-dibromo-4-methylpyridine;3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 157376403
(8R)-2-bromo-8-methyl-5,6,7,8-tetrahydroquinoline;(8R)-8-methyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158874102
7-Bromo-2-methyl-1,5-naphthyridine;2-methyl-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 159522038
7-Bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 159741505
2-Bromo-6-methylpyridine;2-[4-iodo-1-(oxan-2-yl)pyrazol-5-yl]-6-methylpyridine;2-methyl-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridine;[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 159746938
7-Bromo-2-methyl-1,5-naphthyridine;methane;2-methyl-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 161493060
7-Bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 161740670
2-Bromo-5,6,7,8-tetrahydroquinoline;2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten
CID 167677647

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten?
The IUPAC name of 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten (CID 161197538) is 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten.
What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten?
The canonical SMILES for 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten is Brc1ccc2c(n1)CCCN2.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.[W].c1cc(-c2ccc3c(n2)CCCN3)n(C2CCCCO2)n1.
What is the InChIKey of 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten?
The InChIKey is UUNVCZPTPCTTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.C14H23BN2O3.C8H9BrN2.W/c1-2-11-21-16(5-1)20-15(8-10-18-20)14-7-6-12-13(19-14)4-3-9-17-12;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;9-8-4-3-6-7(11-8)2-1-5-10-6;/h6-8,10,16-17H,1-5,9,11H2;8-9,12H,5-7,10H2,1-4H3;3-4,10H,1-2,5H2;.
What are the key properties of 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten?
6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten has a molecular weight of 959.44 g/mol, XLogP of 7.08, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;6-[2-(oxan-2-yl)pyrazol-3-yl]-1,2,3,4-tetrahydro-1,5-naphthyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten is sourced from PubChem (CID 161197538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).