6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C18H15BrN6 — CID 155296144

IUPAC6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(Br)cc(-c3ccc(N4CC5CC(C4)N5)nc3)c12
InChIInChI=1S/C18H15BrN6/c19-13-3-16(18-12(5-20)7-22-25(18)8-13)11-1-2-17(21-6-11)24-9-14-4-15(10-24)23-14/h1-3,6-8,14-15,23H,4,9-10H2
InChIKeyLJTVFKYAYSGFOV-UHFFFAOYSA-N
MW395.26 g/mol
LogP2.58
Rot. Bonds2

About 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296144) has the molecular formula C18H15BrN6 and a molecular weight of 395.26 g/mol. Its IUPAC name is 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155296144
Molecular FormulaC18H15BrN6
Molecular Weight395.26 g/mol
Exact Mass394.05
IUPAC Name6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(Br)cc(-c3ccc(N4CC5CC(C4)N5)nc3)c12
InChIInChI=1S/C18H15BrN6/c19-13-3-16(18-12(5-20)7-22-25(18)8-13)11-1-2-17(21-6-11)24-9-14-4-15(10-24)23-14/h1-3,6-8,14-15,23H,4,9-10H2
InChIKeyLJTVFKYAYSGFOV-UHFFFAOYSA-N
XLogP2.58
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435413
6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163966297
6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175764205
4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 134496039
tert-butyl 4-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 155181405
tert-butyl (1S,4R,5R)-6-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxy-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 170699432
4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 155388164
6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163630825
4-[6-(3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 174117085
6-ethoxy-4-[6-[6-(2-methoxyethoxy)-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435654
4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435964
4-[6-[3-(3-methylbutanoyl)azetidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148588612

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296144) is 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(Br)cc(-c3ccc(N4CC5CC(C4)N5)nc3)c12.
What is the InChIKey of 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LJTVFKYAYSGFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN6/c19-13-3-16(18-12(5-20)7-22-25(18)8-13)11-1-2-17(21-6-11)24-9-14-4-15(10-24)23-14/h1-3,6-8,14-15,23H,4,9-10H2.
What are the key properties of 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 395.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).