![CAS 1186647-71-1 4-chloro-3-iodo-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1186647-71-1.gif)
CAS RN: 1186647-71-1
4-chloro-3-iodo-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251106 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1186647-71-1
- Purity/Analytical Methods: >99.0%
1186647-71-1 / 4-chloro-3-iodo-1-propan-2-ylpyrazolo[4,3-c]pyridine
4-chloro-3-iodo-1-(propan-2-yl)-1h-pyrazolo[4,3-c]pyridine | MFCD27994621 | 4-chloro-3-iodo-1-isopropyl-1H-pyrazolo[4,3-c]pyridine
Basic Information
CAS
1186647-71-1
Multi CAS
No
Molecular Formula
C9H9ClIN3
Molecular Weight
321.540000
Exact Mass
320.952970
SMILES
CC(C)N1C2=C(C(=NC=C2)Cl)C(=N1)I
InChI
InChI=1S/C9H9ClIN3/c1-5(2)14-6-3-4-12-8(10)7(6)9(11)13-14/h3-5H,1-2H3
InChIKey
NUONMXZGVOQRFJ-UHFFFAOYSA-N
Synonyms
4-chloro-3-iodo-1-(propan-2-yl)-1h-pyrazolo[4,3-c]pyridine
MFCD27994621
4-chloro-3-iodo-1-isopropyl-1H-pyrazolo[4,3-c]pyridine
4-chloro-3-iodo-1-propan-2-ylpyrazolo[4,3-c]pyridine
SCHEMBL1483040
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
65.64
TPSA
30.71
LogP / Solubility
WLOGP
3.27
MLOGP
2.89
XLogP3
2.8
Consensus LogP
2.99
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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