7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C16H10BrN5 — CID 86638649

IUPAC7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1ccc(-c2ccnc3cc(-c4ccncc4)nn23)cn1
InChIInChI=1S/C16H10BrN5/c17-15-2-1-12(10-20-15)14-5-8-19-16-9-13(21-22(14)16)11-3-6-18-7-4-11/h1-10H
InChIKeyMRHITKWNKOJSBI-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.62
Rot. Bonds2

About 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 86638649) has the molecular formula C16H10BrN5 and a molecular weight of 352.20 g/mol. Its IUPAC name is 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID86638649
Molecular FormulaC16H10BrN5
Molecular Weight352.20 g/mol
Exact Mass351.01
IUPAC Name7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1ccc(-c2ccnc3cc(-c4ccncc4)nn23)cn1
InChIInChI=1S/C16H10BrN5/c17-15-2-1-12(10-20-15)14-5-8-19-16-9-13(21-22(14)16)11-3-6-18-7-4-11/h1-10H
InChIKeyMRHITKWNKOJSBI-UHFFFAOYSA-N
XLogP3.62
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide
CID 143544079
1-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46883714
3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
CID 58970133
4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
CID 135939559
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol
CID 135750248
2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 3480101
3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol
CID 126672883
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol
CID 135634342
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 146315974
2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide
CID 141184049
3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 66812305

Frequently Asked Questions

What is the IUPAC name of 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 86638649) is 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Brc1ccc(-c2ccnc3cc(-c4ccncc4)nn23)cn1.
What is the InChIKey of 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MRHITKWNKOJSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5/c17-15-2-1-12(10-20-15)14-5-8-19-16-9-13(21-22(14)16)11-3-6-18-7-4-11/h1-10H.
What are the key properties of 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 352.20 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86638649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).