8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one

C24H19ClN4O2 — CID 139551907

IUPAC8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
SMILESCCOc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C24H19ClN4O2/c1-3-31-21-11-6-16-14-29(19-9-10-20-17(12-19)13-28(2)27-20)24(30)22(23(16)26-21)15-4-7-18(25)8-5-15/h4-14H,3H2,1-2H3
InChIKeyLBBFJPJFOZFSJW-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.99
Rot. Bonds4

About 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one

8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one (PubChem CID 139551907) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
PubChem CID139551907
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
SMILESCCOc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C24H19ClN4O2/c1-3-31-21-11-6-16-14-29(19-9-10-20-17(12-19)13-28(2)27-20)24(30)22(23(16)26-21)15-4-7-18(25)8-5-15/h4-14H,3H2,1-2H3
InChIKeyLBBFJPJFOZFSJW-UHFFFAOYSA-N
XLogP4.99
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one (CID 139551907) is 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one is CCOc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one?
The InChIKey is LBBFJPJFOZFSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-3-31-21-11-6-16-14-29(19-9-10-20-17(12-19)13-28(2)27-20)24(30)22(23(16)26-21)15-4-7-18(25)8-5-15/h4-14H,3H2,1-2H3.
What are the key properties of 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one?
8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one has a molecular weight of 430.90 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one is sourced from PubChem (CID 139551907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).