5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H20N6O — CID 110132632

IUPAC5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(Cc4ncc[nH]4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C16H20N6O/c1-11-8-15-19-13(9-16(23)22(15)20-11)12-2-6-21(7-3-12)10-14-17-4-5-18-14/h4-5,8-9,12,20H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyLZEDUXAUHNRFBZ-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.43
Rot. Bonds3

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

5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110132632) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110132632
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(Cc4ncc[nH]4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C16H20N6O/c1-11-8-15-19-13(9-16(23)22(15)20-11)12-2-6-21(7-3-12)10-14-17-4-5-18-14/h4-5,8-9,12,20H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyLZEDUXAUHNRFBZ-UHFFFAOYSA-N
XLogP1.43
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110132632) is 5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C3CCN(Cc4ncc[nH]4)CC3)cc(=O)n2[nH]1.
What is the InChIKey of 5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LZEDUXAUHNRFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-8-15-19-13(9-16(23)22(15)20-11)12-2-6-21(7-3-12)10-14-17-4-5-18-14/h4-5,8-9,12,20H,2-3,6-7,10H2,1H3,(H,17,18).
What are the key properties of 5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 312.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110132632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).