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

C18H14BrFN6 — CID 163966297

IUPAC6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(Br)cc(-c3cnc(N4CC5CC(C4)N5)c(F)c3)c12
InChIInChI=1S/C18H14BrFN6/c19-12-2-15(17-11(4-21)6-23-26(17)7-12)10-1-16(20)18(22-5-10)25-8-13-3-14(9-25)24-13/h1-2,5-7,13-14,24H,3,8-9H2
InChIKeySMBUGHJJUVBZSU-UHFFFAOYSA-N
MW413.25 g/mol
LogP2.72
Rot. Bonds2

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

6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 163966297) has the molecular formula C18H14BrFN6 and a molecular weight of 413.25 g/mol. Its IUPAC name is 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-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)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID163966297
Molecular FormulaC18H14BrFN6
Molecular Weight413.25 g/mol
Exact Mass412.04
IUPAC Name6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(Br)cc(-c3cnc(N4CC5CC(C4)N5)c(F)c3)c12
InChIInChI=1S/C18H14BrFN6/c19-12-2-15(17-11(4-21)6-23-26(17)7-12)10-1-16(20)18(22-5-10)25-8-13-3-14(9-25)24-13/h1-2,5-7,13-14,24H,3,8-9H2
InChIKeySMBUGHJJUVBZSU-UHFFFAOYSA-N
XLogP2.72
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155296144
4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148500655
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-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175764205
6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667161
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
4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 175708993
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
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-[6-[(3-fluoro-4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 135165771
6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921021

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-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)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 163966297) is 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-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)-5-fluoro-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)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(Br)cc(-c3cnc(N4CC5CC(C4)N5)c(F)c3)c12.
What is the InChIKey of 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SMBUGHJJUVBZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN6/c19-12-2-15(17-11(4-21)6-23-26(17)7-12)10-1-16(20)18(22-5-10)25-8-13-3-14(9-25)24-13/h1-2,5-7,13-14,24H,3,8-9H2.
What are the key properties of 6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 413.25 g/mol, XLogP of 2.72, 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)-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163966297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).