3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione

Name: 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
SKU: PI871700242
Rating: 5 (1 reviews)

Cat. No.: PI871700242

Product Details Other Identifiers Computed Properties

CAS	871700-24-2
Purity	98%
Molecular Formula	C18H15FIN3O4
Molecular Weight	483.23
Molar Refractivity	107.75

Pubchem ID	59717004
InChI Key	MHHFXMZMCYWCJQ-UHFFFAOYSA-N
MDL Number	MFCD18207185

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	2
Topological Polar Surface Area	86.23 Å²
Heavy Atom Count	27
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.28
Log Po/w (iLOGP)	3.17
Log Po/w (XLOGP3)	2.36
Log Po/w (WLOGP)	2.3
Log Po/w (MLOGP)	3.17
Log Po/w (SILICOS-IT)	3.0
Consensus Log Po/w	2.8
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.57 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	1.0
Synthetic Accessibility	3.0

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