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CAS 1416270-18-2 (R)-8-cyclopropyl-6-(3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl)-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile molecular structure lightbox
CAS RN: 1416270-18-2

(R)-8-cyclopropyl-6-(3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl)-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1416270-18-2
  • Purity/Analytical Methods: >99.0%
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1416270-18-2 / 8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

Standard CAS: 1416270-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416270-18-2
Multi CAS
No
Molecular Formula
C25H34N4O3
Molecular Weight
438.600000
Exact Mass
438.263091
SMILES
CC1(CC2=C(CO1)C(=NC(=C2C#N)N3CCN([C@@H](C3)C4CC4)C(=O)CCOC)C5CC5)C
InChI
InChI=1S/C25H34N4O3/c1-25(2)12-18-19(13-26)24(27-23(17-6-7-17)20(18)15-32-25)28-9-10-29(22(30)8-11-31-3)21(14-28)16-4-5-16/h16-17,21H,4-12,14-15H2,1-3H3/t21-/m0/s1
InChIKey
GNDMXEAGAZOBEM-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
120.43
TPSA
78.69

LogP / Solubility

WLOGP
3.15
MLOGP
2.8
XLogP3
1.8
Consensus LogP
2.58
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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