2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one

C18H19N5O2 — CID 167925690

IUPAC2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCOc1ccc2cnnc(N3CCC(c4nccc(=O)[nH]4)CC3)c2c1
InChIInChI=1S/C18H19N5O2/c1-25-14-3-2-13-11-20-22-18(15(13)10-14)23-8-5-12(6-9-23)17-19-7-4-16(24)21-17/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,21,24)
InChIKeyPXJXISIRAGIJPP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.11
Rot. Bonds3

About 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one

2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 167925690) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID167925690
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCOc1ccc2cnnc(N3CCC(c4nccc(=O)[nH]4)CC3)c2c1
InChIInChI=1S/C18H19N5O2/c1-25-14-3-2-13-11-20-22-18(15(13)10-14)23-8-5-12(6-9-23)17-19-7-4-16(24)21-17/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,21,24)
InChIKeyPXJXISIRAGIJPP-UHFFFAOYSA-N
XLogP2.11
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one (CID 167925690) is 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one is COc1ccc2cnnc(N3CCC(c4nccc(=O)[nH]4)CC3)c2c1.
What is the InChIKey of 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is PXJXISIRAGIJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-14-3-2-13-11-20-22-18(15(13)10-14)23-8-5-12(6-9-23)17-19-7-4-16(24)21-17/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,21,24).
What are the key properties of 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one?
2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 337.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-methoxyphthalazin-1-yl)piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 167925690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).