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CAS 1057672-72-6 1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-Methyl- molecular structure lightbox
CAS RN: 1057672-72-6

1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-Methyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1057672-72-6
  • Purity/Analytical Methods: >99.0%
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1057672-72-6 / 7-chloro-1-methylpyrazolo[4,3-b]pyridine

7-CHLORO-1-METHYL-1H-PYRAZOLO[4,3-B]PYRIDINE | 1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-methyl- | 7-chloro-1-methyl-pyrazolo[4,3-b]pyridine

Standard CAS: 1057672-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1057672-72-6
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
CN1C2=C(C=CN=C2C=N1)Cl
InChI
InChI=1S/C7H6ClN3/c1-11-7-5(8)2-3-9-6(7)4-10-11/h2-4H,1H3
InChIKey
JCKJVIKFHOEOGV-UHFFFAOYSA-N
Synonyms
7-CHLORO-1-METHYL-1H-PYRAZOLO[4,3-B]PYRIDINE 1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-methyl- 7-chloro-1-methyl-pyrazolo[4,3-b]pyridine MFCD08704339 7-chloro-1-methylpyrazolo[4,3-b]pyridine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
43.52
TPSA
30.71

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.2
Consensus LogP
1.41
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

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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