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

C23H23N3O3 — CID 143723312

IUPAC1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCOC(C)Cn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C23H23N3O3/c1-17(28-2)15-26-22-9-8-20(12-19(22)14-24-26)25-11-10-21(13-23(25)27)29-16-18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3
InChIKeySEJNQMRSYMMJBH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.80
Rot. Bonds7

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

1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 143723312) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID143723312
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCOC(C)Cn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
InChIInChI=1S/C23H23N3O3/c1-17(28-2)15-26-22-9-8-20(12-19(22)14-24-26)25-11-10-21(13-23(25)27)29-16-18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3
InChIKeySEJNQMRSYMMJBH-UHFFFAOYSA-N
XLogP3.80
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one
CID 25057383
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
4-(1-phenylethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25057384
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163
1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 71080950
1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 25055556
1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride
CID 69096505
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169
1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 53318595

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 143723312) is 1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one is COC(C)Cn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.
What is the InChIKey of 1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is SEJNQMRSYMMJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17(28-2)15-26-22-9-8-20(12-19(22)14-24-26)25-11-10-21(13-23(25)27)29-16-18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3.
What are the key properties of 1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 143723312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).