1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one

C21H24N4O2 — CID 135355071

IUPAC1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(CCN3CCOCC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H24N4O2/c1-23-16-20(19(13-21(23)26)17-5-3-2-4-6-17)18-14-22-25(15-18)8-7-24-9-11-27-12-10-24/h2-6,13-16H,7-12H2,1H3
InChIKeyLNTYCWKWSFEVMT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.25
Rot. Bonds5

About 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one

1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one (PubChem CID 135355071) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one
PubChem CID135355071
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(CCN3CCOCC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H24N4O2/c1-23-16-20(19(13-21(23)26)17-5-3-2-4-6-17)18-14-22-25(15-18)8-7-24-9-11-27-12-10-24/h2-6,13-16H,7-12H2,1H3
InChIKeyLNTYCWKWSFEVMT-UHFFFAOYSA-N
XLogP2.25
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The IUPAC name of 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one (CID 135355071) is 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one is Cn1cc(-c2cnn(CCN3CCOCC3)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The InChIKey is LNTYCWKWSFEVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23-16-20(19(13-21(23)26)17-5-3-2-4-6-17)18-14-22-25(15-18)8-7-24-9-11-27-12-10-24/h2-6,13-16H,7-12H2,1H3.
What are the key properties of 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one?
1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-phenylpyridin-2-one is sourced from PubChem (CID 135355071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).