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CAS 1269815-17-9 Piperidine-3-carboxylic acid [5-chloro-4-(5-fluoro-2-methoxy-phenyl)-pyridin-2-yl]-amide molecular structure lightbox
CAS RN: 1269815-17-9

Piperidine-3-carboxylic acid [5-chloro-4-(5-fluoro-2-methoxy-phenyl)-pyridin-2-yl]-amide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250723 1mg / 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1269815-17-9
  • Purity/Analytical Methods: >99.0%
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1269815-17-9 / (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide

Standard CAS: 1269815-17-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1269815-17-9
Multi CAS
No
Molecular Formula
C18H19ClFN3O2
Molecular Weight
363.800000
Exact Mass
363.114983
SMILES
COC1=C(C=C(C=C1)F)C2=CC(=NC=C2Cl)NC(=O)[C@@H]3CCCNC3
InChI
InChI=1S/C18H19ClFN3O2/c1-25-16-5-4-12(20)7-14(16)13-8-17(22-10-15(13)19)23-18(24)11-3-2-6-21-9-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,22,23,24)/t11-/m1/s1
InChIKey
AHMKHNVZGOQLRQ-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.42
TPSA
63.25

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
2.7
Consensus LogP
3.09
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

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

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