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CAS 74169-58-7 3,4-Dimethyl-1-(pyridin-2-yl)pyrano[2,3-c]pyrazol-6(1H)-one molecular structure lightbox
CAS RN: 74169-58-7

3,4-Dimethyl-1-(pyridin-2-yl)pyrano[2,3-c]pyrazol-6(1H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LIND889080
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74169-58-7 / 3,4-dimethyl-1-pyridin-2-ylpyrano[3,2-d]pyrazol-6-one

Standard CAS: 74169-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74169-58-7
Multi CAS
No
Molecular Formula
C13H11N3O2
Molecular Weight
241.240000
Exact Mass
241.085127
InChI
InChI=1S/C13H11N3O2/c1-8-7-11(17)18-13-12(8)9(2)15-16(13)10-5-3-4-6-14-10/h3-7H,1-2H3
InChIKey
AQINKDBYGWMHOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
66.88
TPSA
60.92

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

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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