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

C21H12Cl2N4O — CID 137438644

IUPAC4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESO=c1cc(Cl)c2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C21H12Cl2N4O/c22-16-9-18(28)25-21-15(16)8-14(19(26-21)11-4-2-1-3-5-11)12-6-13-10-24-27-20(13)17(23)7-12/h1-10H,(H,24,27)(H,25,26,28)
InChIKeyKKLZTGVVTIGQIO-UHFFFAOYSA-N
MW407.26 g/mol
LogP5.44
Rot. Bonds2

About 4-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 (PubChem CID 137438644) has the molecular formula C21H12Cl2N4O and a molecular weight of 407.26 g/mol. Its IUPAC name is 4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
PubChem CID137438644
Molecular FormulaC21H12Cl2N4O
Molecular Weight407.26 g/mol
Exact Mass406.04
IUPAC Name4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESO=c1cc(Cl)c2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C21H12Cl2N4O/c22-16-9-18(28)25-21-15(16)8-14(19(26-21)11-4-2-1-3-5-11)12-6-13-10-24-27-20(13)17(23)7-12/h1-10H,(H,24,27)(H,25,26,28)
InChIKeyKKLZTGVVTIGQIO-UHFFFAOYSA-N
XLogP5.44
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.26
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438412
6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438636
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)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 137438594
7-chloro-5-(2-methylphenyl)-1H-indazole
CID 171662369
6-(7-chloro-1H-indazol-5-yl)-3-(ethylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430502
[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)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
CID 137431825
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
2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one (CID 137438644) is 4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one is O=c1cc(Cl)c2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The InChIKey is KKLZTGVVTIGQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N4O/c22-16-9-18(28)25-21-15(16)8-14(19(26-21)11-4-2-1-3-5-11)12-6-13-10-24-27-20(13)17(23)7-12/h1-10H,(H,24,27)(H,25,26,28).
What are the key properties of 4-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 has a molecular weight of 407.26 g/mol, XLogP of 5.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).