CAS RN: 607737-87-1

4-[3-(6-METHYL-2-PYRIDINYL)-1H-PYRAZOL-4-YL]-QUINOLINE

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8 package records7 with current stock2 grade groups
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  • Product code: starshine_CAS607737-87-1
  • Purity/Analytical Methods: >99.0%
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607737-87-1 / 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

Standard CAS: 607737-87-1 Multi CAS: Yes

Basic Information

CAS
607737-87-1
Multi CAS
Yes
Molecular Formula
C18H14N4
Molecular Weight
286.300000
Exact Mass
286.121846
InChI
InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)
InChIKey
KJTYZDORHCDZPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
21
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.29
TPSA
54.46

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
3.1
Consensus LogP
3.54
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

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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