5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H27N5O2 — CID 110214648

IUPAC5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCCN(C(=O)CCc4cccc(C)n4)C3)cc2n1
InChIInChI=1S/C22H27N5O2/c1-3-17-12-22(29)27-20(24-17)13-19(25-27)16-7-5-11-26(14-16)21(28)10-9-18-8-4-6-15(2)23-18/h4,6,8,12-13,16,25H,3,5,7,9-11,14H2,1-2H3
InChIKeyWZIGMMGNBMZEMY-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.63
Rot. Bonds5

About 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214648) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214648
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCCN(C(=O)CCc4cccc(C)n4)C3)cc2n1
InChIInChI=1S/C22H27N5O2/c1-3-17-12-22(29)27-20(24-17)13-19(25-27)16-7-5-11-26(14-16)21(28)10-9-18-8-4-6-15(2)23-18/h4,6,8,12-13,16,25H,3,5,7,9-11,14H2,1-2H3
InChIKeyWZIGMMGNBMZEMY-UHFFFAOYSA-N
XLogP2.63
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[(3S)-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061679
2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237974
4-[2-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 110214576
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237977
6-ethyl-5-methyl-2-[1-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214677
5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214564
2-(1-benzoylpyrrolidin-3-yl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 127244643
5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110259276
6-ethyl-5-methyl-2-[(3S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061775
5,6-dimethyl-2-[(3S)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061547
2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidin-3-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 110214697

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110214648) is 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(C3CCCN(C(=O)CCc4cccc(C)n4)C3)cc2n1.
What is the InChIKey of 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WZIGMMGNBMZEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-17-12-22(29)27-20(24-17)13-19(25-27)16-7-5-11-26(14-16)21(28)10-9-18-8-4-6-15(2)23-18/h4,6,8,12-13,16,25H,3,5,7,9-11,14H2,1-2H3.
What are the key properties of 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 393.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).