6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one

C23H17ClN4O — CID 137438412

IUPAC6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc(=O)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc12
InChIInChI=1S/C23H17ClN4O/c1-2-13-10-20(29)26-23-18(13)11-17(21(27-23)14-6-4-3-5-7-14)15-8-16-12-25-28-22(16)19(24)9-15/h3-12H,2H2,1H3,(H,25,28)(H,26,27,29)
InChIKeySFMYCJIONLEGKK-UHFFFAOYSA-N
MW400.87 g/mol
LogP5.35
Rot. Bonds3

About 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one

6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 137438412) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one
PubChem CID137438412
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc(=O)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc12
InChIInChI=1S/C23H17ClN4O/c1-2-13-10-20(29)26-23-18(13)11-17(21(27-23)14-6-4-3-5-7-14)15-8-16-12-25-28-22(16)19(24)9-15/h3-12H,2H2,1H3,(H,25,28)(H,26,27,29)
InChIKeySFMYCJIONLEGKK-UHFFFAOYSA-N
XLogP5.35
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438644
6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438636
[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate
CID 137438498
6-(7-chloro-1H-indazol-5-yl)-3-(ethylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430502
6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 137438594
2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656678
7-chloro-5-(2-methylphenyl)-1H-indazole
CID 171662369
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
CID 137431839
4-chloro-6-(7-chloro-1H-indazol-5-yl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;3-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;5-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(7-chloro-1H-indazol-5-yl)-6-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 158256734
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430504
7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 155006886

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one (CID 137438412) is 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one is CCc1cc(=O)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc12.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one?
The InChIKey is SFMYCJIONLEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c1-2-13-10-20(29)26-23-18(13)11-17(21(27-23)14-6-4-3-5-7-14)15-8-16-12-25-28-22(16)19(24)9-15/h3-12H,2H2,1H3,(H,25,28)(H,26,27,29).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one?
6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 400.87 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).