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

C24H26N6O2 — CID 135355396

IUPAC4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCOCCNc1ncc(-c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)cn1
InChIInChI=1S/C24H26N6O2/c1-17(18-7-5-4-6-8-18)30-15-20(14-28-30)22-16-29(2)23(31)11-21(22)19-12-26-24(27-13-19)25-9-10-32-3/h4-8,11-17H,9-10H2,1-3H3,(H,25,26,27)
InChIKeyOMIQFVRZILIZOB-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.37
Rot. Bonds8

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

4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355396) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355396
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCOCCNc1ncc(-c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)cn1
InChIInChI=1S/C24H26N6O2/c1-17(18-7-5-4-6-8-18)30-15-20(14-28-30)22-16-29(2)23(31)11-21(22)19-12-26-24(27-13-19)25-9-10-32-3/h4-8,11-17H,9-10H2,1-3H3,(H,25,26,27)
InChIKeyOMIQFVRZILIZOB-UHFFFAOYSA-N
XLogP3.37
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355396) is 4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is COCCNc1ncc(-c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)cn1.
What is the InChIKey of 4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is OMIQFVRZILIZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17(18-7-5-4-6-8-18)30-15-20(14-28-30)22-16-29(2)23(31)11-21(22)19-12-26-24(27-13-19)25-9-10-32-3/h4-8,11-17H,9-10H2,1-3H3,(H,25,26,27).
What are the key properties of 4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).