4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one

C23H25N5O2 — CID 140929050

IUPAC4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(C(C)c2cccc(C3=NC(C)N=C3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-5-30-22-10-23(29)27(4)14-20(22)19-11-25-28(13-19)15(2)17-7-6-8-18(9-17)21-12-24-16(3)26-21/h6-16H,5H2,1-4H3
InChIKeyIRGHLRVGIBWSDT-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.48
Rot. Bonds6

About 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one

4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 140929050) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one
PubChem CID140929050
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(C(C)c2cccc(C3=NC(C)N=C3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-5-30-22-10-23(29)27(4)14-20(22)19-11-25-28(13-19)15(2)17-7-6-8-18(9-17)21-12-24-16(3)26-21/h6-16H,5H2,1-4H3
InChIKeyIRGHLRVGIBWSDT-UHFFFAOYSA-N
XLogP3.48
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US10617680, Example 252
CID 135355353
US10617680, Example 91
CID 135355383
US10617680, Example 92
CID 135355386
US10617680, Example 102
CID 135355042
US10617680, Example 44
CID 135355067
US10617680, Example 167
CID 135355133
US10617680, Example 51
CID 135355141
US10617680, Example 64
CID 135355151
US10617680, Example 170
CID 135355162
US10617680, Example 105
CID 135355166
US10617680, Example 65
CID 135355176
US10617680, Example 50
CID 135355178

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one (CID 140929050) is 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(C(C)c2cccc(C3=NC(C)N=C3)c2)c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is IRGHLRVGIBWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-5-30-22-10-23(29)27(4)14-20(22)19-11-25-28(13-19)15(2)17-7-6-8-18(9-17)21-12-24-16(3)26-21/h6-16H,5H2,1-4H3.
What are the key properties of 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one?
4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 403.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methyl-5-[1-[1-[3-(2-methyl-2H-imidazol-4-yl)phenyl]ethyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 140929050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).