5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one

C22H15ClN4O3 — CID 118950956

IUPAC5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one
SMILESO=C(Cn1[nH]c(=O)c2cc(Cl)ccc21)c1c[nH]c2cc(Oc3cccnc3)ccc12
InChIInChI=1S/C22H15ClN4O3/c23-13-3-6-20-17(8-13)22(29)26-27(20)12-21(28)18-11-25-19-9-14(4-5-16(18)19)30-15-2-1-7-24-10-15/h1-11,25H,12H2,(H,26,29)
InChIKeyCUPLTBPDYSQQEB-UHFFFAOYSA-N
MW418.84 g/mol
LogP4.53
Rot. Bonds5

About 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one

5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one (PubChem CID 118950956) has the molecular formula C22H15ClN4O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one.

Molecular Properties

Compound Name5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one
PubChem CID118950956
Molecular FormulaC22H15ClN4O3
Molecular Weight418.84 g/mol
Exact Mass418.08
IUPAC Name5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one
SMILESO=C(Cn1[nH]c(=O)c2cc(Cl)ccc21)c1c[nH]c2cc(Oc3cccnc3)ccc12
InChIInChI=1S/C22H15ClN4O3/c23-13-3-6-20-17(8-13)22(29)26-27(20)12-21(28)18-11-25-19-9-14(4-5-16(18)19)30-15-2-1-7-24-10-15/h1-11,25H,12H2,(H,26,29)
InChIKeyCUPLTBPDYSQQEB-UHFFFAOYSA-N
XLogP4.53
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone
CID 118950906
7-chloro-1-methyl-3-[3-oxo-3-(6-pyridin-3-yloxy-1H-indol-3-yl)propyl]naphthalene-2-carboxylic acid
CID 121473693
2-(5,6-dichlorobenzimidazol-1-yl)-1-(6-pyrimidin-2-yloxy-1H-indol-3-yl)ethanone
CID 145040863
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208767
2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-1-(5-pyridin-3-yloxy-1H-indol-3-yl)ethanone
CID 118656765
5-chloro-1-ethyl-2H-indazol-3-one
CID 23063926
2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone
CID 145117875
7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
CID 145117902
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208230
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
(2-chloro-4-pyridin-3-yloxyphenyl)-[4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 170669769

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one?
The IUPAC name of 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one (CID 118950956) is 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one.
What is the SMILES notation for 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one?
The canonical SMILES for 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one is O=C(Cn1[nH]c(=O)c2cc(Cl)ccc21)c1c[nH]c2cc(Oc3cccnc3)ccc12.
What is the InChIKey of 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one?
The InChIKey is CUPLTBPDYSQQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O3/c23-13-3-6-20-17(8-13)22(29)26-27(20)12-21(28)18-11-25-19-9-14(4-5-16(18)19)30-15-2-1-7-24-10-15/h1-11,25H,12H2,(H,26,29).
What are the key properties of 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one?
5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one has a molecular weight of 418.84 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one is sourced from PubChem (CID 118950956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).