![CAS 1933514-13-6 1H-Pyrazole-4-carboxamide, N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1(2H)-pyridinyl)methyl]phenyl]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1933514-13-6.gif)
CAS RN: 1933514-13-6
1H-Pyrazole-4-carboxamide, N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1(2H)-pyridinyl)methyl]phenyl]methyl]-
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250705 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250614 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260410 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260608 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250829 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251214 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1933514-13-6
- Purity/Analytical Methods: >99.0%
1933514-13-6 / N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
Basic Information
CAS
1933514-13-6
Multi CAS
No
Molecular Formula
C26H26FN5O4
Molecular Weight
491.500000
Exact Mass
491.196882
SMILES
COCC1=NN(C=C1C(=O)NCC2=NC=CC(=C2F)OC)CC3=CC=C(C=C3)CN4C=CC=CC4=O
InChI
InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)
InChIKey
KGMPDQIYDKKXRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
23
Fraction Csp3
0.23
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
1
Molar refractivity
130.21
TPSA
100.27
LogP / Solubility
WLOGP
2.76
MLOGP
2.46
XLogP3
1.3
Consensus LogP
2.17
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble
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)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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