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CAS 1155846-90-4 3-Aminomethyl-1H-pyrazolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 1155846-90-4

3-Aminomethyl-1H-pyrazolo[3,4-b]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1155846-90-4
  • Purity/Analytical Methods: >99.0%
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1155846-90-4 / 2H-pyrazolo[3,4-b]pyridin-3-ylmethanamine

1H-Pyrazolo[3,4-b]pyridin-3-ylmethanamine | 1H-Pyrazolo(3,4-b)pyridin-3-ylmethanamine | RefChem:439122

Standard CAS: 1155846-90-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1155846-90-4
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
C1=CC2=C(NN=C2N=C1)CN
InChI
InChI=1S/C7H8N4/c8-4-6-5-2-1-3-9-7(5)11-10-6/h1-3H,4,8H2,(H,9,10,11)
InChIKey
RPCRJEFBBHEMAP-UHFFFAOYSA-N
Synonyms
1H-Pyrazolo[3,4-b]pyridin-3-ylmethanamine 1H-Pyrazolo(3,4-b)pyridin-3-ylmethanamine RefChem:439122 889-636-5 3-AMINOMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE

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
2
Molar refractivity
41.78
TPSA
67.59

LogP / Solubility

WLOGP
0.42
MLOGP
0.36
XLogP3
-0.3
Consensus LogP
0.16
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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