![CAS 1290625-92-1 Tert-Butyl 5H-Spiro[Pyrido[3,2-E]Pyrrolo[1,2-A]Pyrazine-6,3′-Pyrrolidine]-1′-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1290625-92-1.gif)
CAS RN: 1290625-92-1
Tert-Butyl 5H-Spiro[Pyrido[3,2-E]Pyrrolo[1,2-A]Pyrazine-6,3′-Pyrrolidine]-1′-Carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250823 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1290625-92-1
- Purity/Analytical Methods: >99.0%
1290625-92-1 / tert-butyl spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-carboxylate
Basic Information
CAS
1290625-92-1
Multi CAS
No
Molecular Formula
C18H22N4O2
Molecular Weight
326.400000
Exact Mass
326.174276
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)C3=CC=CN3C4=C(N2)C=CC=N4
InChI
InChI=1S/C18H22N4O2/c1-17(2,3)24-16(23)21-11-8-18(12-21)14-7-5-10-22(14)15-13(20-18)6-4-9-19-15/h4-7,9-10,20H,8,11-12H2,1-3H3
InChIKey
BGDWQDFQCOGLKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.29
TPSA
59.39
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
2.1
Consensus LogP
2.67
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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