![CAS 1111106-85-4 N-(5-(5-isopropyl-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopentanecarboxamide, 97%(HPLC) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1111106-85-4.png)
CAS RN: 1111106-85-4
N-(5-(5-isopropyl-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopentanecarboxamide, 97%(HPLC)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN926773
1111106-85-4 / N-[5-(2-methoxy-5-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopentanecarboxamide
SCHEMBL13944166 | N-(5-(5-Isopropyl-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopentanecarboxamide
Basic Information
CAS
1111106-85-4
Multi CAS
No
Molecular Formula
C22H26N4O2
Molecular Weight
378.500000
Exact Mass
378.205576
SMILES
CC(C)C1=CC(=C(C=C1)OC)C2=CC=CC3=NC(=NN32)NC(=O)C4CCCC4
InChI
InChI=1S/C22H26N4O2/c1-14(2)16-11-12-19(28-3)17(13-16)18-9-6-10-20-23-22(25-26(18)20)24-21(27)15-7-4-5-8-15/h6,9-15H,4-5,7-8H2,1-3H3,(H,24,25,27)
InChIKey
XYBYGOABNMRDME-UHFFFAOYSA-N
Synonyms
SCHEMBL13944166
N-(5-(5-Isopropyl-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopentanecarboxamide
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
109.65
TPSA
68.52
LogP / Solubility
WLOGP
4.66
MLOGP
4.12
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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