1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C24H23N5O2 — CID 25057913

IUPAC1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCN=C1Cn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C24H23N5O2/c1-27-12-10-25-23(27)16-29-22-8-7-20(13-19(22)15-26-29)28-11-9-21(14-24(28)30)31-17-18-5-3-2-4-6-18/h2-9,11,13-15H,10,12,16-17H2,1H3
InChIKeyXJUYCXXYIFQXPT-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.11
Rot. Bonds6

About 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25057913) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25057913
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCN=C1Cn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C24H23N5O2/c1-27-12-10-25-23(27)16-29-22-8-7-20(13-19(22)15-26-29)28-11-9-21(14-24(28)30)31-17-18-5-3-2-4-6-18/h2-9,11,13-15H,10,12,16-17H2,1H3
InChIKeyXJUYCXXYIFQXPT-UHFFFAOYSA-N
XLogP3.11
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25057913) is 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is CN1CCN=C1Cn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.
What is the InChIKey of 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is XJUYCXXYIFQXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-27-12-10-25-23(27)16-29-22-8-7-20(13-19(22)15-26-29)28-11-9-21(14-24(28)30)31-17-18-5-3-2-4-6-18/h2-9,11,13-15H,10,12,16-17H2,1H3.
What are the key properties of 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 413.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25057913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).