3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H25N5O — CID 110089583

IUPAC3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNC1CCN(Cc2c[nH]n3c(=O)cc(CCc4ccccc4)nc23)CC1
InChIInChI=1S/C20H25N5O/c21-17-8-10-24(11-9-17)14-16-13-22-25-19(26)12-18(23-20(16)25)7-6-15-4-2-1-3-5-15/h1-5,12-13,17,22H,6-11,14,21H2
InChIKeyLZUFKPCRBOJPOE-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.73
Rot. Bonds5

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

3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110089583) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110089583
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNC1CCN(Cc2c[nH]n3c(=O)cc(CCc4ccccc4)nc23)CC1
InChIInChI=1S/C20H25N5O/c21-17-8-10-24(11-9-17)14-16-13-22-25-19(26)12-18(23-20(16)25)7-6-15-4-2-1-3-5-15/h1-5,12-13,17,22H,6-11,14,21H2
InChIKeyLZUFKPCRBOJPOE-UHFFFAOYSA-N
XLogP1.73
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110089583) is 3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is NC1CCN(Cc2c[nH]n3c(=O)cc(CCc4ccccc4)nc23)CC1.
What is the InChIKey of 3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LZUFKPCRBOJPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-17-8-10-24(11-9-17)14-16-13-22-25-19(26)12-18(23-20(16)25)7-6-15-4-2-1-3-5-15/h1-5,12-13,17,22H,6-11,14,21H2.
What are the key properties of 3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 351.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopiperidin-1-yl)methyl]-5-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110089583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).