Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

Name: Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
SKU: PI473927649
Rating: 5 (1 reviews)

Cat. No.: PI473927649

Product Details Other Identifiers Computed Properties

CAS	473927-64-9
Purity	98%
Molecular Formula	C22H20IN3O4
Molecular Weight	517.32
Molar Refractivity	123.76

Pubchem ID	22240493
InChI Key	DOONVRNBSUAOKN-UHFFFAOYSA-N
MDL Number	MFCD19442850

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	6
Topological Polar Surface Area	73.66 Å²
Heavy Atom Count	30
Aromatic Heavy Atoms Number	17
Fraction Csp3	0.23
Log Po/w (iLOGP)	3.7
Log Po/w (XLOGP3)	4.45
Log Po/w (WLOGP)	3.48
Log Po/w (MLOGP)	3.46
Log Po/w (SILICOS-IT)	3.86
Consensus Log Po/w	3.79
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.3 cm/s
Lipinski	1.0
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	3.38

* Our products are for research use only.

Get in Touch

We’re glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description

Verification Code *