4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C16H17F2N3O3 — CID 53369636

IUPAC4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC2c1cccc(OC(F)F)c1
InChIInChI=1S/C16H17F2N3O3/c1-8(2)21-14-13(15(23)20-21)11(7-12(22)19-14)9-4-3-5-10(6-9)24-16(17)18/h3-6,8,11,16H,7H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIOZJWQSOQJKHKJ-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.83
Rot. Bonds4

About 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 53369636) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID53369636
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC2c1cccc(OC(F)F)c1
InChIInChI=1S/C16H17F2N3O3/c1-8(2)21-14-13(15(23)20-21)11(7-12(22)19-14)9-4-3-5-10(6-9)24-16(17)18/h3-6,8,11,16H,7H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIOZJWQSOQJKHKJ-UHFFFAOYSA-N
XLogP2.83
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 53369636) is 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is CC(C)n1[nH]c(=O)c2c1NC(=O)CC2c1cccc(OC(F)F)c1.
What is the InChIKey of 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is IOZJWQSOQJKHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-8(2)21-14-13(15(23)20-21)11(7-12(22)19-14)9-4-3-5-10(6-9)24-16(17)18/h3-6,8,11,16H,7H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 337.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 53369636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).