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CAS 120422-90-4 4,6-dichloro-3-Methyl-1H-pyrazolo[4,3-c]pyridine molecular structure lightbox
CAS RN: 120422-90-4

4,6-dichloro-3-Methyl-1H-pyrazolo[4,3-c]pyridine

  • Product code: SSC-021389
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120422-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

120422-90-4 / 4,6-dichloro-3-methyl-2H-pyrazolo[4,3-c]pyridine

4,6-Dichloro-3-methyl-1H-pyrazolo[4,3-c]pyridine | 4,6-dichloro-3-methyl-2H-pyrazolo[4,3-c]pyridine | MFCD18257115

Standard CAS: 120422-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120422-90-4
Multi CAS
No
Molecular Formula
C7H5Cl2N3
Molecular Weight
202.040000
Exact Mass
200.986053
SMILES
CC1=C2C(=NN1)C=C(N=C2Cl)Cl
InChI
InChI=1S/C7H5Cl2N3/c1-3-6-4(12-11-3)2-5(8)10-7(6)9/h2H,1H3,(H,11,12)
InChIKey
OEDSJFVMMHLPBB-UHFFFAOYSA-N
Synonyms
4,6-Dichloro-3-methyl-1H-pyrazolo[4,3-c]pyridine 4,6-dichloro-3-methyl-2H-pyrazolo[4,3-c]pyridine MFCD18257115 SCHEMBL7702341 DTXSID90631488

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.65
TPSA
41.57

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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