![CAS 185962-07-6 1-(piperidin-4-yl)-1H-imidazo[4,5-c]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/185962-07-6.gif)
CAS RN: 185962-07-6
1-(piperidin-4-yl)-1H-imidazo[4,5-c]pyridin-2(3H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250905 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS185962-07-6
- Purity/Analytical Methods: >99.0%
185962-07-6 / 1-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one
Basic Information
CAS
185962-07-6
Multi CAS
No
Molecular Formula
C11H14N4O
Molecular Weight
218.260000
Exact Mass
218.116761
SMILES
C1CNCCC1N2C3=C(C=NC=C3)NC2=O
InChI
InChI=1S/C11H14N4O/c16-11-14-9-7-13-6-3-10(9)15(11)8-1-4-12-5-2-8/h3,6-8,12H,1-2,4-5H2,(H,14,16)
InChIKey
JKIPLLDTTZUHSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.49
TPSA
62.71
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
-0.2
Consensus LogP
0.34
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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