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CAS 1337918-83-8 1-Piperidinecarboxamide, 4-(1,2-dihydro-2-oxo-3-quinolinyl)-N-[(1R)-1-[(7-methyl-1H-indazol-5-yl)methyl]-2-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-2-oxoethyl]- molecular structure lightbox
CAS RN: 1337918-83-8

1-Piperidinecarboxamide, 4-(1,2-dihydro-2-oxo-3-quinolinyl)-N-[(1R)-1-[(7-methyl-1H-indazol-5-yl)methyl]-2-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-2-oxoethyl]-

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6 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260520 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250713 250mg Out of stock Inquiry
Batchno.20250902 25mg Out of stock Inquiry
Batchno.20250221 50mg In stock Shanghai Inquiry
Batchno.20250328 5mg In stock Shanghai Inquiry
Batchno.20250630 5mg / 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1337918-83-8
  • Purity/Analytical Methods: >99.0%
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1337918-83-8 / N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide

Standard CAS: 1337918-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1337918-83-8
Multi CAS
No
Molecular Formula
C36H46N8O3
Molecular Weight
638.800000
Exact Mass
638.369287
SMILES
CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)N3CCN(CC3)C4CCN(CC4)C)NC(=O)N5CCC(CC5)C6=CC7=CC=CC=C7NC6=O
InChI
InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1
InChIKey
JJVAPHYEOZSKJZ-JGCGQSQUSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
19
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
183.64
TPSA
120.67

LogP / Solubility

WLOGP
3.45
MLOGP
3.09
XLogP3
3.1
Consensus LogP
3.21
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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