7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C30H34BBrN10O2 — CID 159874204

IUPAC7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCn1cc(-c2cnc3ccc(N)nc3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ccc2ncc(Br)cc2n1
InChIInChI=1S/C12H11N5.C10H17BN2O2.C8H6BrN3/c1-17-7-9(6-15-17)8-4-11-10(14-5-8)2-3-12(13)16-11;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h2-7H,1H3,(H2,13,16);6-7H,1-5H3;1-4H,(H2,10,12)
InChIKeyNSRQHUINYIVFIM-UHFFFAOYSA-N
MW657.39 g/mol
LogP4.31
Rot. Bonds2

About 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159874204) has the molecular formula C30H34BBrN10O2 and a molecular weight of 657.39 g/mol. Its IUPAC name is 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID159874204
Molecular FormulaC30H34BBrN10O2
Molecular Weight657.39 g/mol
Exact Mass656.21
IUPAC Name7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCn1cc(-c2cnc3ccc(N)nc3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ccc2ncc(Br)cc2n1
InChIInChI=1S/C12H11N5.C10H17BN2O2.C8H6BrN3/c1-17-7-9(6-15-17)8-4-11-10(14-5-8)2-3-12(13)16-11;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h2-7H,1H3,(H2,13,16);6-7H,1-5H3;1-4H,(H2,10,12)
InChIKeyNSRQHUINYIVFIM-UHFFFAOYSA-N
XLogP4.31
TPSA157.70 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole with MolForge

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Related Compounds

2-Bromo-6-(trifluoromethyl)pyridine;2-(1-pyridin-3-ylpyrazol-4-yl)-6-(trifluoromethyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
CID 157286556
5-Bromopyridin-3-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine
CID 157465821
2-Bromo-6-(trifluoromethyl)pyridine;3-fluoro-5-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine;2-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-6-(trifluoromethyl)pyridine
CID 159552728
7-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)-1,5-naphthyridin-2-amine
CID 90288744
7-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)-1,5-naphthyridin-2-amine
CID 90289293
Tert-butyl 4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboximidate
CID 155275608
[N-(7-bromo-1,5-naphthyridin-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate;[N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamimidoyl] ethanimidate
CID 157112835
6-Bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
CID 157142767
6-[6-(5-Amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile
CID 157146654
5-Bromopyridin-2-amine;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane
CID 157267616
6-Bromo-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine;6-[4-(1-ethylpiperidin-4-yl)phenyl]-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine;1-ethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine;methane;hydrochloride
CID 157328661
4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 157362457

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159874204) is 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is Cn1cc(-c2cnc3ccc(N)nc3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ccc2ncc(Br)cc2n1.
What is the InChIKey of 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is NSRQHUINYIVFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5.C10H17BN2O2.C8H6BrN3/c1-17-7-9(6-15-17)8-4-11-10(14-5-8)2-3-12(13)16-11;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h2-7H,1H3,(H2,13,16);6-7H,1-5H3;1-4H,(H2,10,12).
What are the key properties of 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 657.39 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,5-naphthyridin-2-amine;7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159874204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).