2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole

C26H30N6O — CID 118280913

IUPAC2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3ccc4ncc(N5CC(N6CCN(C)C(C)(C)C6)C5)cc4n3)ccc2o1
InChIInChI=1S/C26H30N6O/c1-17-28-24-11-18(5-8-25(24)33-17)21-6-7-22-23(29-21)12-19(13-27-22)32-14-20(15-32)31-10-9-30(4)26(2,3)16-31/h5-8,11-13,20H,9-10,14-16H2,1-4H3
InChIKeyHFOJVRXIYZREBY-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.96
Rot. Bonds3

About 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole

2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole (PubChem CID 118280913) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole
PubChem CID118280913
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3ccc4ncc(N5CC(N6CCN(C)C(C)(C)C6)C5)cc4n3)ccc2o1
InChIInChI=1S/C26H30N6O/c1-17-28-24-11-18(5-8-25(24)33-17)21-6-7-22-23(29-21)12-19(13-27-22)32-14-20(15-32)31-10-9-30(4)26(2,3)16-31/h5-8,11-13,20H,9-10,14-16H2,1-4H3
InChIKeyHFOJVRXIYZREBY-UHFFFAOYSA-N
XLogP3.96
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole 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 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole (CID 118280913) is 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole is Cc1nc2cc(-c3ccc4ncc(N5CC(N6CCN(C)C(C)(C)C6)C5)cc4n3)ccc2o1.
What is the InChIKey of 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole?
The InChIKey is HFOJVRXIYZREBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-17-28-24-11-18(5-8-25(24)33-17)21-6-7-22-23(29-21)12-19(13-27-22)32-14-20(15-32)31-10-9-30(4)26(2,3)16-31/h5-8,11-13,20H,9-10,14-16H2,1-4H3.
What are the key properties of 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole?
2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole has a molecular weight of 442.57 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[7-[3-(3,3,4-trimethylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 118280913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).