CAS RN: 1422060-93-2

2-(piperidin-4-yl)-6-(pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

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  • Product code: starshine_CAS1422060-93-2
  • Purity/Analytical Methods: >99.0%
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1422060-93-2 / 2-piperidin-4-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine

Standard CAS: 1422060-93-2 Multi CAS: No

Basic Information

CAS
1422060-93-2
Multi CAS
No
Molecular Formula
C15H21N5
Molecular Weight
271.360000
Exact Mass
271.179696
SMILES
C1CCN(C1)C2=CN3C(=NC(=N3)C4CCNCC4)C=C2
InChI
InChI=1S/C15H21N5/c1-2-10-19(9-1)13-3-4-14-17-15(18-20(14)11-13)12-5-7-16-8-6-12/h3-4,11-12,16H,1-2,5-10H2
InChIKey
FWDBHCFWFYTGOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.28
TPSA
45.46

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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