![CAS 1197815-64-7 2′-tert-butyl-1-(1H-indazole-5-carbonyl)-2’H-spiro[piperidine-4,5′-pyrano[3,2-c]pyrazol]-7′(6’H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42574693.gif)
CAS RN: 1197815-64-7
2′-tert-butyl-1-(1H-indazole-5-carbonyl)-2’H-spiro[piperidine-4,5′-pyrano[3,2-c]pyrazol]-7′(6’H)-one
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.20250429 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1197815-64-7
- Purity/Analytical Methods: >99.0%
1197815-64-7 / 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
2'-(tert-Butyl)-1-(1H-indazole-5-carbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one | 2'-(tert-butyl)-1-(1H-indazole-5-carbonyl)-2'H-spiro(piperidine-4,5'-pyrano(3,2-c)pyrazol)-7'(6'H)-one | RefChem:908397
Basic Information
CAS
1197815-64-7
Multi CAS
No
Molecular Formula
C22H25N5O3
Molecular Weight
407.500000
Exact Mass
407.195740
SMILES
CC(C)(C)N1C=C2C(=N1)C(=O)CC3(O2)CCN(CC3)C(=O)C4=CC5=C(C=C4)NN=C5
InChI
InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24)
InChIKey
MDLAYXJCVDNKAB-UHFFFAOYSA-N
Synonyms
2'-(tert-Butyl)-1-(1H-indazole-5-carbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one
2'-(tert-butyl)-1-(1H-indazole-5-carbonyl)-2'H-spiro(piperidine-4,5'-pyrano(3,2-c)pyrazol)-7'(6'H)-one
RefChem:908397
2'-Tert-Butyl-1-(2h-Indazol-5-Ylcarbonyl)-2'h-Spiro[piperidine-4,5'-Pyrano[3,2-C]pyrazol]-7'(6'h)-One
CHEMBL2419601
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
14
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
110.76
TPSA
93.11
LogP / Solubility
WLOGP
3.15
MLOGP
2.8
XLogP3
2.1
Consensus LogP
2.68
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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