![CAS 1637752-28-3 spiro[cyclopropane-1,3′-pyrrolo[2,3-c]pyridin]-2′(1’H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1637752-28-3.gif)
CAS RN: 1637752-28-3
spiro[cyclopropane-1,3′-pyrrolo[2,3-c]pyridin]-2′(1’H)-one
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS1637752-28-3
- Purity/Analytical Methods: >99.0%
1637752-28-3 / spiro[1H-pyrrolo[2,3-c]pyridine-3,1'-cyclopropane]-2-one
Basic Information
CAS
1637752-28-3
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
C1CC12C3=C(C=NC=C3)NC2=O
InChI
InChI=1S/C9H8N2O/c12-8-9(2-3-9)6-1-4-10-5-7(6)11-8/h1,4-5H,2-3H2,(H,11,12)
InChIKey
RTLBWSBCYZQKGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.78
TPSA
41.99
LogP / Solubility
WLOGP
1.07
MLOGP
0.93
Consensus LogP
0.67
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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