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

C19H21N5O2 — CID 98061507

IUPAC5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCN(C(=O)c4ccccn4)CC3)cc2n1
InChIInChI=1S/C19H21N5O2/c1-2-14-11-18(25)24-17(21-14)12-16(22-24)13-6-9-23(10-7-13)19(26)15-5-3-4-8-20-15/h3-5,8,11-13,22H,2,6-7,9-10H2,1H3
InChIKeyXCGSTRKXRWLTJM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.00
Rot. Bonds3

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

5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98061507) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98061507
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCN(C(=O)c4ccccn4)CC3)cc2n1
InChIInChI=1S/C19H21N5O2/c1-2-14-11-18(25)24-17(21-14)12-16(22-24)13-6-9-23(10-7-13)19(26)15-5-3-4-8-20-15/h3-5,8,11-13,22H,2,6-7,9-10H2,1H3
InChIKeyXCGSTRKXRWLTJM-UHFFFAOYSA-N
XLogP2.00
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98061507) is 5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(C3CCN(C(=O)c4ccccn4)CC3)cc2n1.
What is the InChIKey of 5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XCGSTRKXRWLTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-14-11-18(25)24-17(21-14)12-16(22-24)13-6-9-23(10-7-13)19(26)15-5-3-4-8-20-15/h3-5,8,11-13,22H,2,6-7,9-10H2,1H3.
What are the key properties of 5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 351.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98061507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).