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CAS 1186609-65-3 5-AMino-3-Methoxy-1H-pyrazolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 1186609-65-3

5-AMino-3-Methoxy-1H-pyrazolo[3,4-b]pyridine

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Batchno.20251020 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1186609-65-3
  • Purity/Analytical Methods: >99.0%
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1186609-65-3 / 3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-amine

3-METHOXY-1H-PYRAZOLO[3,4-B]PYRIDIN-5-AMINE | 3-METHOXY-1H-PYRAZOLO[3,4-B]PYRIDINE-5-AMINE | MFCD18802801

Standard CAS: 1186609-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186609-65-3
Multi CAS
No
Molecular Formula
C7H8N4O
Molecular Weight
164.160000
Exact Mass
164.069811
SMILES
COC1=NNC2=C1C=C(C=N2)N
InChI
InChI=1S/C7H8N4O/c1-12-7-5-2-4(8)3-9-6(5)10-11-7/h2-3H,8H2,1H3,(H,9,10,11)
InChIKey
GIIQPCQVPGBPIQ-UHFFFAOYSA-N
Synonyms
3-METHOXY-1H-PYRAZOLO[3,4-B]PYRIDIN-5-AMINE 3-METHOXY-1H-PYRAZOLO[3,4-B]PYRIDINE-5-AMINE MFCD18802801 5-AMINO-3-METHOXY-1H-PYRAZOLO[3,4-B]PYRIDINE SCHEMBL1496203

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.85
TPSA
76.82

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.4
Consensus LogP
0.48
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.33

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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