![CAS 2590556-80-0 4-Pyrimidinamine, N-[[4-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl]-6-[7-[3-(1-pyrrolidinyl)propoxy]imidazo[1,2-a]pyridin-3-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2590556-80-0.gif)
CAS RN: 2590556-80-0
4-Pyrimidinamine, N-[[4-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl]-6-[7-[3-(1-pyrrolidinyl)propoxy]imidazo[1,2-a]pyridin-3-yl]-
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.20251111 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2590556-80-0
- Purity/Analytical Methods: >99.0%
2590556-80-0 / N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
Basic Information
CAS
2590556-80-0
Multi CAS
No
Molecular Formula
C29H32N8O
Molecular Weight
508.600000
Exact Mass
508.269908
SMILES
CN1C=C(C=N1)C2=CC=C(C=C2)CNC3=NC=NC(=C3)C4=CN=C5N4C=CC(=C5)OCCCN6CCCC6
InChI
InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)
InChIKey
LVMAULGVWBINFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
26
Fraction Csp3
0.31
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
1
Molar refractivity
147.97
TPSA
85.4
LogP / Solubility
WLOGP
4.67
MLOGP
4.15
XLogP3
4.3
Consensus LogP
4.37
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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