2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C17H19N5O2 — CID 145287448

IUPAC2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)C34CC5CCC(C3)N54)c2C)n1
InChIInChI=1S/C17H19N5O2/c1-9-5-14(23)20-16(19-9)22-10(2)13(8-18-22)15(24)17-6-11-3-4-12(7-17)21(11)17/h5,8,11-12H,3-4,6-7H2,1-2H3,(H,19,20,23)
InChIKeySLLQQBHACXPIJJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 145287448) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID145287448
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)C34CC5CCC(C3)N54)c2C)n1
InChIInChI=1S/C17H19N5O2/c1-9-5-14(23)20-16(19-9)22-10(2)13(8-18-22)15(24)17-6-11-3-4-12(7-17)21(11)17/h5,8,11-12H,3-4,6-7H2,1-2H3,(H,19,20,23)
InChIKeySLLQQBHACXPIJJ-UHFFFAOYSA-N
XLogP1.13
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one 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 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 145287448) is 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)C34CC5CCC(C3)N54)c2C)n1.
What is the InChIKey of 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SLLQQBHACXPIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-9-5-14(23)20-16(19-9)22-10(2)13(8-18-22)15(24)17-6-11-3-4-12(7-17)21(11)17/h5,8,11-12H,3-4,6-7H2,1-2H3,(H,19,20,23).
What are the key properties of 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 325.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-azatricyclo[3.2.1.03,8]octane-3-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 145287448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).