4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C23H26N6O — CID 135355616

IUPAC4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCCNN1C=C(c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)C=NC1
InChIInChI=1S/C23H26N6O/c1-4-25-28-13-19(11-24-16-28)21-10-23(30)27(3)15-22(21)20-12-26-29(14-20)17(2)18-8-6-5-7-9-18/h5-15,17,25H,4,16H2,1-3H3
InChIKeyZPTDOKOTYRVVDP-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.07
Rot. Bonds6

About 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355616) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355616
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCCNN1C=C(c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)C=NC1
InChIInChI=1S/C23H26N6O/c1-4-25-28-13-19(11-24-16-28)21-10-23(30)27(3)15-22(21)20-12-26-29(14-20)17(2)18-8-6-5-7-9-18/h5-15,17,25H,4,16H2,1-3H3
InChIKeyZPTDOKOTYRVVDP-UHFFFAOYSA-N
XLogP3.07
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-4-propan-2-yloxypyridin-2-one
CID 135355496
4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355380
1-methyl-5-[1-[(1S)-1-phenylethyl]pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one
CID 135355514
1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]-4-pyrazol-1-ylpyridin-2-one
CID 135355266
3-chloro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355261
4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one
CID 140929050
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355148
N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
CID 135355345
1-methyl-5-[1-(methylsulfonylmethyl)pyrazol-4-yl]-4-phenylpyridin-2-one
CID 135355336
2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]ethanesulfinate
CID 135355333
4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 57480633
4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 134310779

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355616) is 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CCNN1C=C(c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)C=NC1.
What is the InChIKey of 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is ZPTDOKOTYRVVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-4-25-28-13-19(11-24-16-28)21-10-23(30)27(3)15-22(21)20-12-26-29(14-20)17(2)18-8-6-5-7-9-18/h5-15,17,25H,4,16H2,1-3H3.
What are the key properties of 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 402.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)-2H-pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).