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

C16H19N7O — CID 91841450

IUPAC2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCN(c4ncccn4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C16H19N7O/c1-12-9-14-19-13(10-15(24)23(14)20-12)11-21-5-7-22(8-6-21)16-17-3-2-4-18-16/h2-4,9-10,20H,5-8,11H2,1H3
InChIKeyRBHAUKLWADHTFQ-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.44
Rot. Bonds3

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

2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 91841450) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID91841450
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCN(c4ncccn4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C16H19N7O/c1-12-9-14-19-13(10-15(24)23(14)20-12)11-21-5-7-22(8-6-21)16-17-3-2-4-18-16/h2-4,9-10,20H,5-8,11H2,1H3
InChIKeyRBHAUKLWADHTFQ-UHFFFAOYSA-N
XLogP0.44
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 91841450) is 2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN3CCN(c4ncccn4)CC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RBHAUKLWADHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-12-9-14-19-13(10-15(24)23(14)20-12)11-21-5-7-22(8-6-21)16-17-3-2-4-18-16/h2-4,9-10,20H,5-8,11H2,1H3.
What are the key properties of 2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 325.38 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91841450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).