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

C18H19N5O2 — CID 98061473

IUPAC5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCN(C(=O)c4ccccn4)CC3)cc2n1
InChIInChI=1S/C18H19N5O2/c1-12-10-17(24)23-16(20-12)11-15(21-23)13-5-8-22(9-6-13)18(25)14-4-2-3-7-19-14/h2-4,7,10-11,13,21H,5-6,8-9H2,1H3
InChIKeyFGUPVJYHJLQWKW-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.75
Rot. Bonds2

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

5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98061473) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98061473
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCN(C(=O)c4ccccn4)CC3)cc2n1
InChIInChI=1S/C18H19N5O2/c1-12-10-17(24)23-16(20-12)11-15(21-23)13-5-8-22(9-6-13)18(25)14-4-2-3-7-19-14/h2-4,7,10-11,13,21H,5-6,8-9H2,1H3
InChIKeyFGUPVJYHJLQWKW-UHFFFAOYSA-N
XLogP1.75
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98061473) is 5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCN(C(=O)c4ccccn4)CC3)cc2n1.
What is the InChIKey of 5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FGUPVJYHJLQWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-10-17(24)23-16(20-12)11-15(21-23)13-5-8-22(9-6-13)18(25)14-4-2-3-7-19-14/h2-4,7,10-11,13,21H,5-6,8-9H2,1H3.
What are the key properties of 5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 337.38 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98061473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).