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CAS 1628210-26-3 KDM5-IN-1 molecular structure lightbox
CAS RN: 1628210-26-3

KDM5-IN-1

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250324 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1628210-26-3
  • Purity/Analytical Methods: >99.0%
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1628210-26-3 / 5-(1-tert-butylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Standard CAS: 1628210-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1628210-26-3
Multi CAS
No
Molecular Formula
C17H20N6O
Molecular Weight
324.400000
Exact Mass
324.169859
SMILES
CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CN(N=C3)C(C)(C)C
InChI
InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,20H,1-5H3
InChIKey
YQCOPPONWZNBQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.83
TPSA
91.77

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
1.6
Consensus LogP
2.19
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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