2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H27N5O3 — CID 110216136

IUPAC2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCCCN3C(=O)c3cc(C)c(C)[nH]c3=O)[nH]n2c1=O
InChIInChI=1S/C22H27N5O3/c1-5-15-14(4)23-19-11-17(25-27(19)22(15)30)18-8-6-7-9-26(18)21(29)16-10-12(2)13(3)24-20(16)28/h10-11,18,25H,5-9H2,1-4H3,(H,24,28)
InChIKeySNWPVVRCNKHHQN-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.57
Rot. Bonds3

About 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216136) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110216136
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCCCN3C(=O)c3cc(C)c(C)[nH]c3=O)[nH]n2c1=O
InChIInChI=1S/C22H27N5O3/c1-5-15-14(4)23-19-11-17(25-27(19)22(15)30)18-8-6-7-9-26(18)21(29)16-10-12(2)13(3)24-20(16)28/h10-11,18,25H,5-9H2,1-4H3,(H,24,28)
InChIKeySNWPVVRCNKHHQN-UHFFFAOYSA-N
XLogP2.57
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216136) is 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C3CCCCN3C(=O)c3cc(C)c(C)[nH]c3=O)[nH]n2c1=O.
What is the InChIKey of 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SNWPVVRCNKHHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-5-15-14(4)23-19-11-17(25-27(19)22(15)30)18-8-6-7-9-26(18)21(29)16-10-12(2)13(3)24-20(16)28/h10-11,18,25H,5-9H2,1-4H3,(H,24,28).
What are the key properties of 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 409.49 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).