CID 139328336

(s)-1-(4-fluoro-1-methyl-1h-indazol-5-yl)-3-(2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-yl)-1,3-dihydro-2h-imidazol-2-one

Structural Information

Molecular Formula
C26H25F2N7O
SMILES
C[C@H]1C2=C(N(N=C2CCN1)C3=CC(=C(C(=C3)C)F)C)N4C=CN(C4=O)C5=C(C6=C(C=C5)N(N=C6)C)F
InChI
InChI=1S/C26H25F2N7O/c1-14-11-17(12-15(2)23(14)27)35-25(22-16(3)29-8-7-19(22)31-35)34-10-9-33(26(34)36)21-6-5-20-18(24(21)28)13-30-32(20)4/h5-6,9-13,16,29H,7-8H2,1-4H3/t16-/m0/s1
InChIKey
RUAXBTGNBAFEOY-INIZCTEOSA-N
Compound name
1-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

489.20886 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.21614 222.7
[M+Na]+ 512.19808 237.2
[M-H]- 488.20158 229.1
[M+NH4]+ 507.24268 228.3
[M+K]+ 528.17202 226.2
[M+H-H2O]+ 472.20612 210.1
[M+HCOO]- 534.20706 234.1
[M+CH3COO]- 548.22271 230.2
[M+Na-2H]- 510.18353 213.8
[M]+ 489.20831 225.9
[M]- 489.20941 225.9
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