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CAS 1396337-04-4 2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-6-Methyl-4-(5-pyriMidinyloxy)- molecular structure lightbox
CAS RN: 1396337-04-4

2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-6-Methyl-4-(5-pyriMidinyloxy)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1396337-04-4
  • Purity/Analytical Methods: >99.0%
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1396337-04-4 / N-(5-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide

Standard CAS: 1396337-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1396337-04-4
Multi CAS
No
Molecular Formula
C16H12FN5O2
Molecular Weight
325.300000
Exact Mass
325.097503
SMILES
CC1=CC(=CC(=N1)C(=O)NC2=NC=C(C=C2)F)OC3=CN=CN=C3
InChI
InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
InChIKey
RBAHIIPVJVMACF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.23
TPSA
89.89

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
1.6
Consensus LogP
2.27
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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)
-2.75

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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