4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

C18H24N6O2 — CID 137049215

IUPAC4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC4(CCN(C)C4)C3)c2C)n1
InChIInChI=1S/C18H24N6O2/c1-12-8-15(25)21-17(20-12)24-13(2)14(9-19-24)16(26)23-7-5-18(11-23)4-6-22(3)10-18/h8-9H,4-7,10-11H2,1-3H3,(H,20,21,25)
InChIKeyNXUFMPHALYWLER-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.74
Rot. Bonds2

About 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 137049215) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID137049215
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC4(CCN(C)C4)C3)c2C)n1
InChIInChI=1S/C18H24N6O2/c1-12-8-15(25)21-17(20-12)24-13(2)14(9-19-24)16(26)23-7-5-18(11-23)4-6-22(3)10-18/h8-9H,4-7,10-11H2,1-3H3,(H,20,21,25)
InChIKeyNXUFMPHALYWLER-UHFFFAOYSA-N
XLogP0.74
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-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 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (CID 137049215) is 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC4(CCN(C)C4)C3)c2C)n1.
What is the InChIKey of 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is NXUFMPHALYWLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-8-15(25)21-17(20-12)24-13(2)14(9-19-24)16(26)23-7-5-18(11-23)4-6-22(3)10-18/h8-9H,4-7,10-11H2,1-3H3,(H,20,21,25).
What are the key properties of 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 356.43 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-methyl-4-(7-methyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137049215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).