![CAS 1373116-06-3 1-(1-(1H-imidazole-1-carbonyl)piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373116-06-3.gif)
CAS RN: 1373116-06-3
1-(1-(1H-imidazole-1-carbonyl)piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS1373116-06-3
- Purity/Analytical Methods: >99.0%
1373116-06-3 / 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
Basic Information
CAS
1373116-06-3
Multi CAS
No
Molecular Formula
C15H16N6O2
Molecular Weight
312.330000
Exact Mass
312.133474
SMILES
C1CN(CCC1N2C3=C(NC2=O)N=CC=C3)C(=O)N4C=CN=C4
InChI
InChI=1S/C15H16N6O2/c22-14-18-13-12(2-1-5-17-13)21(14)11-3-7-19(8-4-11)15(23)20-9-6-16-10-20/h1-2,5-6,9-11H,3-4,7-8H2,(H,17,18,22)
InChIKey
VBWXKTTVXAQTDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
14
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.22
TPSA
88.81
LogP / Solubility
WLOGP
1.23
MLOGP
1.09
XLogP3
0.2
Consensus LogP
0.84
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
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