![CAS 1679330-37-0 3-(2-Methyl-4-pyrimidinyl)-1-(phenylmethyl)-1H-pyrrolo[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1679330-37-0.gif)
CAS RN: 1679330-37-0
3-(2-Methyl-4-pyrimidinyl)-1-(phenylmethyl)-1H-pyrrolo[2,3-c]pyridine
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251224 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1679330-37-0
- Purity/Analytical Methods: >99.0%
1679330-37-0 / 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridine
Basic Information
CAS
1679330-37-0
Multi CAS
No
Molecular Formula
C19H16N4
Molecular Weight
300.400000
Exact Mass
300.137497
SMILES
CC1=NC=CC(=N1)C2=CN(C3=C2C=CN=C3)CC4=CC=CC=C4
InChI
InChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3
InChIKey
CZCUSHJQJWKYTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
21
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
91.04
TPSA
43.6
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
2.9
Consensus LogP
3.38
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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