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CAS 1820565-69-2 N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide molecular structure lightbox
CAS RN: 1820565-69-2

N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250713 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1820565-69-2
  • Purity/Analytical Methods: >99.0%
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1820565-69-2 / N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;dihydrochloride

Standard CAS: 1820565-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820565-69-2
Multi CAS
No
Molecular Formula
C24H25Cl2F3N4O
Molecular Weight
513.400000
Exact Mass
512.135751
SMILES
C[C@H]1C[C@H](C[C@H](C1)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F.Cl.Cl
InChI
InChI=1S/C24H23F3N4O.2ClH/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26;;/h2-8,12-15H,9-11,28H2,1H3,(H,31,32);2*1H/t13-,14+,15-;;/m0../s1
InChIKey
BVRSHQQSBGCMJE-ALGQTRDQSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
129.96
TPSA
80.9

LogP / Solubility

WLOGP
5.89
MLOGP
5.22
XLogP3
5.89
Consensus LogP
5.67
Log S (ESOL)
-6.86
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

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