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CAS 2062661-53-2 Imidazo[1,5-a]pyrazin-8(7H)-one, 6-[(3S,4S)-4-methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl]-3-(tetrahydro-2H-pyran-4-yl)- molecular structure lightbox
CAS RN: 2062661-53-2

Imidazo[1,5-a]pyrazin-8(7H)-one, 6-[(3S,4S)-4-methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl]-3-(tetrahydro-2H-pyran-4-yl)-

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 100mg Out of stock Inquiry
Batchno.20250718 10mg In stock Shanghai Inquiry
Batchno.20251026 250mg Out of stock Inquiry
Batchno.20250320 25mg In stock Shanghai Inquiry
Batchno.20260201 50mg In stock Shanghai Inquiry
Batchno.20251228 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2062661-53-2
  • Purity/Analytical Methods: >99.0%
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2062661-53-2 / 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one

Standard CAS: 2062661-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2062661-53-2
Multi CAS
No
Molecular Formula
C21H26N6O2
Molecular Weight
394.500000
Exact Mass
394.211724
SMILES
C[C@@H]1CN(C[C@H]1C2=CN3C(=CN=C3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5
InChI
InChI=1S/C21H26N6O2/c1-14-10-26(13-19-22-5-2-6-23-19)11-16(14)17-12-27-18(21(28)25-17)9-24-20(27)15-3-7-29-8-4-15/h2,5-6,9,12,14-16H,3-4,7-8,10-11,13H2,1H3,(H,25,28)/t14-,16-/m1/s1
InChIKey
GWGNPYYVGANHRJ-GDBMZVCRSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
107.82
TPSA
88.41

LogP / Solubility

WLOGP
1.94
MLOGP
1.73
XLogP3
0.4
Consensus LogP
1.36
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75

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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