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CAS 119368-03-5 1H-Pyrazolo[3,4-b]pyridine,4-methoxy-(9CI) molecular structure lightbox
CAS RN: 119368-03-5

1H-Pyrazolo[3,4-b]pyridine,4-methoxy-(9CI)

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 100mg In stock Shanghai Inquiry
Batchno.20250418 1g Out of stock Inquiry
Batchno.20260131 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS119368-03-5
  • Purity/Analytical Methods: >99.0%
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119368-03-5 / 4-methoxy-1H-pyrazolo[3,4-b]pyridine

4-Methoxy-1H-pyrazolo[3,4-b]pyridine | MFCD11846316 | 1H-Pyrazolo[3,4-b]pyridine,4-methoxy-(9CI)

Standard CAS: 119368-03-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119368-03-5
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
SMILES
COC1=C2C=NNC2=NC=C1
InChI
InChI=1S/C7H7N3O/c1-11-6-2-3-8-7-5(6)4-9-10-7/h2-4H,1H3,(H,8,9,10)
InChIKey
LUZLSGCBTXRFGB-UHFFFAOYSA-N
Synonyms
4-Methoxy-1H-pyrazolo[3,4-b]pyridine MFCD11846316 1H-Pyrazolo[3,4-b]pyridine,4-methoxy-(9CI) 1H-Pyrazolo[3,4-b]pyridine, 4-methoxy- DTXSID80559960

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.44
TPSA
50.8

LogP / Solubility

WLOGP
0.97
MLOGP
0.84
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.94

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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