CID 5287512

Naphthyridine inhibitor

Structural Information

Molecular Formula
C17H15N5
SMILES
CC1=NC(=CC=C1)C2=C(CNN2)C3=NC4=C(C=C3)N=CC=C4
InChI
InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3
InChIKey
YRBHUKMLAGQYHS-UHFFFAOYSA-N
Compound name
2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]-1,5-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

289.13275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14003 169.7
[M+Na]+ 312.12197 178.7
[M-H]- 288.12547 171.4
[M+NH4]+ 307.16657 179.4
[M+K]+ 328.09591 169.8
[M+H-H2O]+ 272.13001 158.2
[M+HCOO]- 334.13095 183.6
[M+CH3COO]- 348.14660 178.6
[M+Na-2H]- 310.10742 174.3
[M]+ 289.13220 165.4
[M]- 289.13330 165.4
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

patents stripe