5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione

C18H14F2N6O3 — CID 170786612

IUPAC5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione
SMILESCn1nc(O[C@H](c2ccccc2)C(F)F)c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc21
InChIInChI=1S/C18H14F2N6O3/c1-26-15-10(7-12(23-24-15)11-8-21-18(28)22-16(11)27)17(25-26)29-13(14(19)20)9-5-3-2-4-6-9/h2-8,13-14H,1H3,(H2,21,22,27,28)/t13-/m1/s1
InChIKeyHJMWVVMHJXVIHA-CYBMUJFWSA-N
MW400.35 g/mol
LogP1.79
Rot. Bonds5

About 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione

5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170786612) has the molecular formula C18H14F2N6O3 and a molecular weight of 400.35 g/mol. Its IUPAC name is 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione
PubChem CID170786612
Molecular FormulaC18H14F2N6O3
Molecular Weight400.35 g/mol
Exact Mass400.11
IUPAC Name5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione
SMILESCn1nc(O[C@H](c2ccccc2)C(F)F)c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc21
InChIInChI=1S/C18H14F2N6O3/c1-26-15-10(7-12(23-24-15)11-8-21-18(28)22-16(11)27)17(25-26)29-13(14(19)20)9-5-3-2-4-6-9/h2-8,13-14H,1H3,(H2,21,22,27,28)/t13-/m1/s1
InChIKeyHJMWVVMHJXVIHA-CYBMUJFWSA-N
XLogP1.79
TPSA118.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-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 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione (CID 170786612) is 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione is Cn1nc(O[C@H](c2ccccc2)C(F)F)c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc21.
What is the InChIKey of 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HJMWVVMHJXVIHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H14F2N6O3/c1-26-15-10(7-12(23-24-15)11-8-21-18(28)22-16(11)27)17(25-26)29-13(14(19)20)9-5-3-2-4-6-9/h2-8,13-14H,1H3,(H2,21,22,27,28)/t13-/m1/s1.
What are the key properties of 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione?
5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 400.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R)-2,2-difluoro-1-phenylethoxy]-1-methylpyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170786612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).