6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one

C22H14ClFN4O — CID 137438172

IUPAC6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one
SMILESCc1[nH]nc2c(Cl)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C22H14ClFN4O/c1-11-16-9-14(10-18(23)21(16)28-27-11)17-8-13-4-7-19(29)25-22(13)26-20(17)12-2-5-15(24)6-3-12/h2-10H,1H3,(H,27,28)(H,25,26,29)
InChIKeySSEIORXAJAHGPD-UHFFFAOYSA-N
MW404.83 g/mol
LogP5.23
Rot. Bonds2

About 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one

6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438172) has the molecular formula C22H14ClFN4O and a molecular weight of 404.83 g/mol. Its IUPAC name is 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one
PubChem CID137438172
Molecular FormulaC22H14ClFN4O
Molecular Weight404.83 g/mol
Exact Mass404.08
IUPAC Name6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one
SMILESCc1[nH]nc2c(Cl)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C22H14ClFN4O/c1-11-16-9-14(10-18(23)21(16)28-27-11)17-8-13-4-7-19(29)25-22(13)26-20(17)12-2-5-15(24)6-3-12/h2-10H,1H3,(H,27,28)(H,25,26,29)
InChIKeySSEIORXAJAHGPD-UHFFFAOYSA-N
XLogP5.23
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.83
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one (CID 137438172) is 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one is Cc1[nH]nc2c(Cl)cc(-c3cc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is SSEIORXAJAHGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN4O/c1-11-16-9-14(10-18(23)21(16)28-27-11)17-8-13-4-7-19(29)25-22(13)26-20(17)12-2-5-15(24)6-3-12/h2-10H,1H3,(H,27,28)(H,25,26,29).
What are the key properties of 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one?
6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 404.83 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).