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CAS 1174844-27-9 ETHYL 1-ISOPROPYL-3-METHYL-6-OXO-6,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 1174844-27-9

ETHYL 1-ISOPROPYL-3-METHYL-6-OXO-6,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1174844-27-9
  • Purity/Analytical Methods: >99.0%
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1174844-27-9 / ethyl 3-methyl-6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate

Standard CAS: 1174844-27-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1174844-27-9
Multi CAS
Yes
Molecular Formula
C13H17N3O3
Molecular Weight
263.290000
Exact Mass
263.126991
SMILES
CCOC(=O)C1=CC(=O)NC2=C1C(=NN2C(C)C)C
InChI
InChI=1S/C13H17N3O3/c1-5-19-13(18)9-6-10(17)14-12-11(9)8(4)15-16(12)7(2)3/h6-7H,5H2,1-4H3,(H,14,17)
InChIKey
BPYRAUHXFJXXHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.43
TPSA
76.98

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1
Consensus LogP
1.46
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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