Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1190323-00-2 / 4-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
4-Methyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one | 4-methyl-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one | 2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-4-methyl-
Basic Information
CAS
1190323-00-2
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
CC1=C2CC(=O)NC2=NC=C1
InChI
InChI=1S/C8H8N2O/c1-5-2-3-9-8-6(5)4-7(11)10-8/h2-3H,4H2,1H3,(H,9,10,11)
InChIKey
DLMKQZZIWOJLSJ-UHFFFAOYSA-N
Synonyms
4-Methyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
4-methyl-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-4-methyl-
MFCD12963478
4-methyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.31
TPSA
41.99
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.4
Consensus LogP
0.68
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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