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

C18H27N5O — CID 137018323

IUPAC3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1(C)CCN(Cc2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1
InChIInChI=1S/C18H27N5O/c1-18(2)5-8-22(12-18)11-14-10-20-23-15(9-16(24)21-17(14)23)13-3-6-19-7-4-13/h9-10,13,19H,3-8,11-12H2,1-2H3,(H,21,24)
InChIKeyLDGCFOSKHSZJQX-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.72
Rot. Bonds3

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

3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018323) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018323
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1(C)CCN(Cc2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1
InChIInChI=1S/C18H27N5O/c1-18(2)5-8-22(12-18)11-14-10-20-23-15(9-16(24)21-17(14)23)13-3-6-19-7-4-13/h9-10,13,19H,3-8,11-12H2,1-2H3,(H,21,24)
InChIKeyLDGCFOSKHSZJQX-UHFFFAOYSA-N
XLogP1.72
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018323) is 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC1(C)CCN(Cc2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1.
What is the InChIKey of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is LDGCFOSKHSZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-18(2)5-8-22(12-18)11-14-10-20-23-15(9-16(24)21-17(14)23)13-3-6-19-7-4-13/h9-10,13,19H,3-8,11-12H2,1-2H3,(H,21,24).
What are the key properties of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 329.45 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).