1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C23H24N4O2 — CID 25057388

IUPAC1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C23H24N4O2/c1-25(2)12-13-27-22-9-8-20(14-19(22)16-24-27)26-11-10-21(15-23(26)28)29-17-18-6-4-3-5-7-18/h3-11,14-16H,12-13,17H2,1-2H3
InChIKeyYFOFHBXYSYGMRK-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.33
Rot. Bonds7

About 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25057388) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25057388
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C23H24N4O2/c1-25(2)12-13-27-22-9-8-20(14-19(22)16-24-27)26-11-10-21(15-23(26)28)29-17-18-6-4-3-5-7-18/h3-11,14-16H,12-13,17H2,1-2H3
InChIKeyYFOFHBXYSYGMRK-UHFFFAOYSA-N
XLogP3.33
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25057388) is 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is CN(C)CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is YFOFHBXYSYGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-25(2)12-13-27-22-9-8-20(14-19(22)16-24-27)26-11-10-21(15-23(26)28)29-17-18-6-4-3-5-7-18/h3-11,14-16H,12-13,17H2,1-2H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 388.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25057388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).