CID 16627000

1-{1h-pyrazolo[3,4-d]pyrimidin-4-yl}-4-{1h-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C17H15N7
SMILES
C1CN(CC=C1C2=CNC3=C2C=CC=N3)C4=NC=NC5=C4C=NN5
InChI
InChI=1S/C17H15N7/c1-2-12-13(8-19-15(12)18-5-1)11-3-6-24(7-4-11)17-14-9-22-23-16(14)20-10-21-17/h1-3,5,8-10H,4,6-7H2,(H,18,19)(H,20,21,22,23)
InChIKey
BLSGPFSMHVXPCE-UHFFFAOYSA-N
Compound name
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.1389 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14618 172.7
[M+Na]+ 340.12812 183.7
[M-H]- 316.13162 174.2
[M+NH4]+ 335.17272 181.4
[M+K]+ 356.10206 174.2
[M+H-H2O]+ 300.13616 160.8
[M+HCOO]- 362.13710 185.8
[M+CH3COO]- 376.15275 181.5
[M+Na-2H]- 338.11357 177.1
[M]+ 317.13835 170.8
[M]- 317.13945 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.