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CAS 1610759-22-2 CFI-402257 molecular structure lightbox
CAS RN: 1610759-22-2

CFI-402257

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 10mg In stock Shanghai Inquiry
Batchno.20260104 25mg In stock Shanghai Inquiry
Batchno.20260419 50mg In stock Shanghai Inquiry
Batchno.20250525 5mg In stock Shanghai Inquiry
  • Product code: LINC902179
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1610759-22-2 / N-cyclopropyl-4-[7-[(3-hydroxy-3-methylcyclobutyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide

Standard CAS: 1610759-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1610759-22-2
Multi CAS
No
Molecular Formula
C28H30N6O3
Molecular Weight
498.600000
Exact Mass
498.237939
SMILES
CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CC(C4)(C)O)OC5=CN=CC=C5)C(=O)NC6CC6
InChI
InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)
InChIKey
PMQUGSPFUBGJCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
21
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
3
Molar refractivity
139.8
TPSA
113.67

LogP / Solubility

WLOGP
4.36
MLOGP
3.87
XLogP3
3.6
Consensus LogP
3.94
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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