CID 71315139

1390637-82-7

Structural Information

Molecular Formula
C26H32N8
SMILES
CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CC[C@@H](C5)N6CCCCC6)C
InChI
InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1
InChIKey
WDWIMDKOXZZYHH-FQEVSTJZSA-N
Compound name
1-methyl-3-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

18
Patents

456.275 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.28228 213.6
[M+Na]+ 479.26422 221.4
[M-H]- 455.26772 221.4
[M+NH4]+ 474.30882 217.2
[M+K]+ 495.23816 212.4
[M+H-H2O]+ 439.27226 199.1
[M+HCOO]- 501.27320 223.0
[M+CH3COO]- 515.28885 219.4
[M+Na-2H]- 477.24967 204.3
[M]+ 456.27445 211.4
[M]- 456.27555 211.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.