![CAS 1616385-51-3 1H-Pyrazole-3-carboxamide, 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1616385-51-3.gif)
CAS RN: 1616385-51-3
1H-Pyrazole-3-carboxamide, 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-
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8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260313 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260209 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251201 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250929 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251216 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250324 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251017 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251206 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1616385-51-3
- Purity/Analytical Methods: >99.0%
1616385-51-3 / 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
Basic Information
CAS
1616385-51-3
Multi CAS
No
Molecular Formula
C19H17N5O
Molecular Weight
331.400000
Exact Mass
331.143310
SMILES
CC1=C(NN=C1C(=O)NC2=CN=C3C(=C2)C=C(N3)C4=CC=CC=C4)C
InChI
InChI=1S/C19H17N5O/c1-11-12(2)23-24-17(11)19(25)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,25)(H,23,24)
InChIKey
NVSHVYGIYPBTEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
20
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
97.54
TPSA
86.46
LogP / Solubility
WLOGP
3.82
MLOGP
3.38
XLogP3
3.2
Consensus LogP
3.47
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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