(S)-Benzyl 2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate

Name: (S)-Benzyl 2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
SKU: PI1420478881
Rating: 5 (1 reviews)

Cat. No.: PI1420478881

Product Details Other Identifiers Computed Properties

CAS	1420478-88-1
Purity	97%
Molecular Formula	C18H18BrN5O2
Molecular Weight	416.27
Molar Refractivity	104.95

Pubchem ID	71233875
InChI Key	DLXYYJDQLZHBNU-ZDUSSCGKSA-N
MDL Number	MFCD30184899

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	5
Topological Polar Surface Area	85.75 Å²
Heavy Atom Count	26
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.28
Log Po/w (iLOGP)	3.15
Log Po/w (XLOGP3)	3.21
Log Po/w (WLOGP)	2.7
Log Po/w (MLOGP)	1.78
Log Po/w (SILICOS-IT)	1.51
Consensus Log Po/w	2.47
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.56 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.62

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