4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C23H22N4O2 — CID 135355304

IUPAC4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)cn1
InChIInChI=1S/C23H22N4O2/c1-16(17-7-5-4-6-8-17)27-14-19(13-25-27)21-15-26(2)23(28)11-20(21)18-9-10-22(29-3)24-12-18/h4-16H,1-3H3
InChIKeyJWXPNSOGEYDHMF-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.93
Rot. Bonds5

About 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355304) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355304
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)cn1
InChIInChI=1S/C23H22N4O2/c1-16(17-7-5-4-6-8-17)27-14-19(13-25-27)21-15-26(2)23(28)11-20(21)18-9-10-22(29-3)24-12-18/h4-16H,1-3H3
InChIKeyJWXPNSOGEYDHMF-UHFFFAOYSA-N
XLogP3.93
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355304) is 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is COc1ccc(-c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is JWXPNSOGEYDHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16(17-7-5-4-6-8-17)27-14-19(13-25-27)21-15-26(2)23(28)11-20(21)18-9-10-22(29-3)24-12-18/h4-16H,1-3H3.
What are the key properties of 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 386.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).