![CAS 2390475-81-5 Tetrazolo[1,5-a]pyrimidine-6-carboxamide, 4,7-dihydro-4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2390475-81-5.gif)
CAS RN: 2390475-81-5
Tetrazolo[1,5-a]pyrimidine-6-carboxamide, 4,7-dihydro-4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260521 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2390475-81-5
- Purity/Analytical Methods: >99.0%
2390475-81-5 / 4,5,7,7-tetramethyl-N-(3-phenyl-1H-indazol-5-yl)tetrazolo[1,5-a]pyrimidine-6-carboxamide
Basic Information
CAS
2390475-81-5
Multi CAS
No
Molecular Formula
C22H22N8O
Molecular Weight
414.500000
Exact Mass
414.191657
SMILES
CC1=C(C(N2C(=NN=N2)N1C)(C)C)C(=O)NC3=CC4=C(C=C3)NN=C4C5=CC=CC=C5
InChI
InChI=1S/C22H22N8O/c1-13-18(22(2,3)30-21(29(13)4)26-27-28-30)20(31)23-15-10-11-17-16(12-15)19(25-24-17)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,23,31)(H,24,25)
InChIKey
KHSAHYKLUPESPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
20
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
118.4
TPSA
104.62
LogP / Solubility
WLOGP
3.31
MLOGP
2.94
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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