![CAS 2172072-40-9 1H-Pyrazolo[3,4-c]pyridin-4-amine, 1-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172072-40-9.png)
CAS RN: 2172072-40-9
1H-Pyrazolo[3,4-c]pyridin-4-amine, 1-methyl-
- Product code: SSC-104676
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2172072-40-9 / 1-methylpyrazolo[5,4-c]pyridin-4-amine
Basic Information
CAS
2172072-40-9
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
CN1C2=C(C=N1)C(=CN=C2)N
InChI
InChI=1S/C7H8N4/c1-11-7-4-9-3-6(8)5(7)2-10-11/h2-4H,8H2,1H3
InChIKey
NMSMRFVMMYGZOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.92
TPSA
56.73
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
-0.2
Consensus LogP
0.28
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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