4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile

C15H12BrN5 — CID 11667299

IUPAC4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCCn1ncc2c(-c3cncc(Br)c3)c(C#N)c(C)nc21
InChIInChI=1S/C15H12BrN5/c1-3-21-15-13(8-19-21)14(12(5-17)9(2)20-15)10-4-11(16)7-18-6-10/h4,6-8H,3H2,1-2H3
InChIKeyLSVVPYPAUAFLCY-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.46
Rot. Bonds2

About 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile

4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 11667299) has the molecular formula C15H12BrN5 and a molecular weight of 342.20 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID11667299
Molecular FormulaC15H12BrN5
Molecular Weight342.20 g/mol
Exact Mass341.03
IUPAC Name4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCCn1ncc2c(-c3cncc(Br)c3)c(C#N)c(C)nc21
InChIInChI=1S/C15H12BrN5/c1-3-21-15-13(8-19-21)14(12(5-17)9(2)20-15)10-4-11(16)7-18-6-10/h4,6-8H,3H2,1-2H3
InChIKeyLSVVPYPAUAFLCY-UHFFFAOYSA-N
XLogP3.46
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile (CID 11667299) is 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile is CCn1ncc2c(-c3cncc(Br)c3)c(C#N)c(C)nc21.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is LSVVPYPAUAFLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5/c1-3-21-15-13(8-19-21)14(12(5-17)9(2)20-15)10-4-11(16)7-18-6-10/h4,6-8H,3H2,1-2H3.
What are the key properties of 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile?
4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 342.20 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 11667299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).