1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C24H26N4O2 — CID 52947616

IUPAC1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CCCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C24H26N4O2/c1-26(2)12-6-13-28-23-10-9-21(15-20(23)17-25-28)27-14-11-22(16-24(27)29)30-18-19-7-4-3-5-8-19/h3-5,7-11,14-17H,6,12-13,18H2,1-2H3
InChIKeyFGUQSNSLDRGYKE-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.72
Rot. Bonds8

About 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 52947616) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID52947616
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CCCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C24H26N4O2/c1-26(2)12-6-13-28-23-10-9-21(15-20(23)17-25-28)27-14-11-22(16-24(27)29)30-18-19-7-4-3-5-8-19/h3-5,7-11,14-17H,6,12-13,18H2,1-2H3
InChIKeyFGUQSNSLDRGYKE-UHFFFAOYSA-N
XLogP3.72
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 52947616) is 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is CN(C)CCCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.
What is the InChIKey of 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is FGUQSNSLDRGYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-26(2)12-6-13-28-23-10-9-21(15-20(23)17-25-28)27-14-11-22(16-24(27)29)30-18-19-7-4-3-5-8-19/h3-5,7-11,14-17H,6,12-13,18H2,1-2H3.
What are the key properties of 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 402.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)propyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 52947616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).