6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one

C22H15ClN4O — CID 137438636

IUPAC6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C22H15ClN4O/c1-12-7-15-9-17(14-8-16-11-24-27-20(16)18(23)10-14)19(13-5-3-2-4-6-13)25-21(15)26-22(12)28/h2-11H,1H3,(H,24,27)(H,25,26,28)
InChIKeyWTHITJOMXTYZSJ-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.10
Rot. Bonds2

About 6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one

6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 137438636) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
PubChem CID137438636
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C22H15ClN4O/c1-12-7-15-9-17(14-8-16-11-24-27-20(16)18(23)10-14)19(13-5-3-2-4-6-13)25-21(15)26-22(12)28/h2-11H,1H3,(H,24,27)(H,25,26,28)
InChIKeyWTHITJOMXTYZSJ-UHFFFAOYSA-N
XLogP5.10
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.10
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
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)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate
CID 137438498
7-chloro-5-(2-methylphenyl)-1H-indazole
CID 171662369
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
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-(ethylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430502
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
[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
CID 137431825

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one (CID 137438636) is 6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one is Cc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one?
The InChIKey is WTHITJOMXTYZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c1-12-7-15-9-17(14-8-16-11-24-27-20(16)18(23)10-14)19(13-5-3-2-4-6-13)25-21(15)26-22(12)28/h2-11H,1H3,(H,24,27)(H,25,26,28).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one?
6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 386.84 g/mol, XLogP of 5.10, 2 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)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).