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CAS 1474022-02-0 Urea, N-[1-(3-cyanophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-N’-[3-methyl-4-(4-pyridinyloxy)phenyl]- molecular structure lightbox
CAS RN: 1474022-02-0

Urea, N-[1-(3-cyanophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-N’-[3-methyl-4-(4-pyridinyloxy)phenyl]-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1474022-02-0
  • Purity/Analytical Methods: >99.0%
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1474022-02-0 / 1-[3-tert-butyl-1-(3-cyanophenyl)pyrazol-5-yl]-3-(3-methyl-4-pyridin-4-yloxyphenyl)urea

Standard CAS: 1474022-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1474022-02-0
Multi CAS
No
Molecular Formula
C27H26N6O2
Molecular Weight
466.500000
Exact Mass
466.211724
SMILES
CC1=C(C=CC(=C1)NC(=O)NC2=CC(=NN2C3=CC=CC(=C3)C#N)C(C)(C)C)OC4=CC=NC=C4
InChI
InChI=1S/C27H26N6O2/c1-18-14-20(8-9-23(18)35-22-10-12-29-13-11-22)30-26(34)31-25-16-24(27(2,3)4)32-33(25)21-7-5-6-19(15-21)17-28/h5-16H,1-4H3,(H2,30,31,34)
InChIKey
BVCVUQMOUMAXKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
23
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
135.11
TPSA
104.86

LogP / Solubility

WLOGP
6.18
MLOGP
5.47
XLogP3
5
Consensus LogP
5.55
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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