CID 132056570

Cirtuvivint

Structural Information

Molecular Formula
C24H25N7O
SMILES
CN1CCN(CC1)C2=NC=CC(=C2)C(=O)NC3=NC=C4C=CC(=CC4=C3)C5=CN(N=C5)C
InChI
InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)
InChIKey
BQWWOBKMDWACGC-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

26
Patents

427.21207 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.21935 203.9
[M+Na]+ 450.20129 220.0
[M+NH4]+ 445.24589 209.4
[M+K]+ 466.17523 213.8
[M-H]- 426.20479 209.8
[M+Na-2H]- 448.18674 213.5
[M]+ 427.21152 207.8
[M]- 427.21262 207.8
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

patents stripe