3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C20H29N5O2 — CID 137018363

IUPAC3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C20H29N5O2/c1-12-8-13(2)11-24(10-12)20(27)18-14(3)23-25-16(9-17(26)22-19(18)25)15-4-6-21-7-5-15/h9,12-13,15,21H,4-8,10-11H2,1-3H3,(H,22,26)
InChIKeyXKZFJMVEXNXDTP-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.92
Rot. Bonds2

About 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018363) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018363
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C20H29N5O2/c1-12-8-13(2)11-24(10-12)20(27)18-14(3)23-25-16(9-17(26)22-19(18)25)15-4-6-21-7-5-15/h9,12-13,15,21H,4-8,10-11H2,1-3H3,(H,22,26)
InChIKeyXKZFJMVEXNXDTP-UHFFFAOYSA-N
XLogP1.92
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-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 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018363) is 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is XKZFJMVEXNXDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-12-8-13(2)11-24(10-12)20(27)18-14(3)23-25-16(9-17(26)22-19(18)25)15-4-6-21-7-5-15/h9,12-13,15,21H,4-8,10-11H2,1-3H3,(H,22,26).
What are the key properties of 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 371.49 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).