1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one

C23H21N5O2 — CID 25057124

IUPAC1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CC2=NCCN2)c1
InChIInChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
InChIKeyVAXDISKYVOZCHP-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.77
Rot. Bonds6

About 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25057124) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25057124
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CC2=NCCN2)c1
InChIInChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
InChIKeyVAXDISKYVOZCHP-UHFFFAOYSA-N
XLogP2.77
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25057124) is 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CC2=NCCN2)c1.
What is the InChIKey of 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is VAXDISKYVOZCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25).
What are the key properties of 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 399.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25057124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).