CID 118386410

(4r)-4-[(1r)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methyl-pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C20H26N6O2
SMILES
C[C@H]([C@@H]1CC(=O)NC1)OC2=NC(=CC3=NN(C=C32)C)C4=CN(N=C4)C(C)(C)C
InChI
InChI=1S/C20H26N6O2/c1-12(13-6-18(27)21-8-13)28-19-15-11-25(5)24-17(15)7-16(23-19)14-9-22-26(10-14)20(2,3)4/h7,9-13H,6,8H2,1-5H3,(H,21,27)/t12-,13-/m1/s1
InChIKey
RHKFNBPBFDOJOE-CHWSQXEVSA-N
Compound name
(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

382.21173 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21901 189.7
[M+Na]+ 405.20095 200.6
[M+NH4]+ 400.24555 193.9
[M+K]+ 421.17489 202.6
[M-H]- 381.20445 190.0
[M+Na-2H]- 403.18640 193.7
[M]+ 382.21118 191.1
[M]- 382.21228 191.1
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

patents stripe