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

C18H25N5O2 — CID 137018618

IUPAC3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1(C)CCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1
InChIInChI=1S/C18H25N5O2/c1-18(2)5-8-22(11-18)17(25)13-10-20-23-14(9-15(24)21-16(13)23)12-3-6-19-7-4-12/h9-10,12,19H,3-8,11H2,1-2H3,(H,21,24)
InChIKeyFCZPHFWUFMWQTQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.36
Rot. Bonds2

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

3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018618) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018618
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1(C)CCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1
InChIInChI=1S/C18H25N5O2/c1-18(2)5-8-22(11-18)17(25)13-10-20-23-14(9-15(24)21-16(13)23)12-3-6-19-7-4-12/h9-10,12,19H,3-8,11H2,1-2H3,(H,21,24)
InChIKeyFCZPHFWUFMWQTQ-UHFFFAOYSA-N
XLogP1.36
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,3-dimethylpyrrolidine-1-carbonyl)-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-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018618) is 3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC1(C)CCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1.
What is the InChIKey of 3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FCZPHFWUFMWQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2)5-8-22(11-18)17(25)13-10-20-23-14(9-15(24)21-16(13)23)12-3-6-19-7-4-12/h9-10,12,19H,3-8,11H2,1-2H3,(H,21,24).
What are the key properties of 3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 343.43 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpyrrolidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).