![CAS 2098457-92-0 1-(4-Methoxyphenyl)-6-(4-(2-Methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02681131.gif)
CAS RN: 2098457-92-0
1-(4-Methoxyphenyl)-6-(4-(2-Methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxaMide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260630 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2098457-92-0
- Purity/Analytical Methods: >99.0%
2098457-92-0 / 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
Basic Information
CAS
2098457-92-0
Multi CAS
No
Molecular Formula
C26H27N5O4
Molecular Weight
473.500000
Exact Mass
473.206304
SMILES
CC1CCCC(=O)N1C2=CC=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(=O)N)C5=CC=C(C=C5)OC
InChI
InChI=1S/C26H27N5O4/c1-16-4-3-5-22(32)30(16)18-8-6-17(7-9-18)29-15-14-21-23(25(27)33)28-31(24(21)26(29)34)19-10-12-20(35-2)13-11-19/h6-13,16H,3-5,14-15H2,1-2H3,(H2,27,33)
InChIKey
BDNVCXVQYXUHCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
17
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
131.26
TPSA
110.76
LogP / Solubility
WLOGP
3.09
MLOGP
2.75
XLogP3
2.7
Consensus LogP
2.85
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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