4-(1-(1-Ethoxyethyl)-1H-pyrazol-4-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine

Cat. No.: PI1187595885

Product Details Other Identifiers Computed Properties

CAS	1187595-88-5
Purity	97%
Molecular Formula	C19H29N5O2Si
Molecular Weight	387.55
Molar Refractivity	109.77

Pubchem ID	57868844
InChI Key	YXEVMRSTXLNHQX-UHFFFAOYSA-N
MDL Number	MFCD30342460

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	9
Topological Polar Surface Area	66.99 Å²
Heavy Atom Count	27
Aromatic Heavy Atoms Number	14
Fraction Csp3	0.53
Log Po/w (iLOGP)	4.24
Log Po/w (XLOGP3)	3.32
Log Po/w (WLOGP)	3.69
Log Po/w (MLOGP)	1.92
Log Po/w (SILICOS-IT)	1.3
Consensus Log Po/w	2.89
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.31 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	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.13

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