6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine

C25H26N4O — CID 91618187

IUPAC6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCOc1ccc(C)c(N2CCc3nc(-c4c(C)ccc5[nH]ncc45)cc(C)c3C2)c1
InChIInChI=1S/C25H26N4O/c1-15-5-7-18(30-4)12-24(15)29-10-9-21-20(14-29)17(3)11-23(27-21)25-16(2)6-8-22-19(25)13-26-28-22/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,28)
InChIKeyAUVDUYXOUMRHMM-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.12
Rot. Bonds3

About 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine

6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 91618187) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID91618187
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCOc1ccc(C)c(N2CCc3nc(-c4c(C)ccc5[nH]ncc45)cc(C)c3C2)c1
InChIInChI=1S/C25H26N4O/c1-15-5-7-18(30-4)12-24(15)29-10-9-21-20(14-29)17(3)11-23(27-21)25-16(2)6-8-22-19(25)13-26-28-22/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,28)
InChIKeyAUVDUYXOUMRHMM-UHFFFAOYSA-N
XLogP5.12
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine (CID 91618187) is 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine is COc1ccc(C)c(N2CCc3nc(-c4c(C)ccc5[nH]ncc45)cc(C)c3C2)c1.
What is the InChIKey of 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is AUVDUYXOUMRHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-15-5-7-18(30-4)12-24(15)29-10-9-21-20(14-29)17(3)11-23(27-21)25-16(2)6-8-22-19(25)13-26-28-22/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,28).
What are the key properties of 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?
6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 398.51 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-2-methylphenyl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 91618187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).