4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C25H28N6O2 — CID 122511382

IUPAC4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCc1cc(N2CC(C)NC(C)C2)c2cc(C(=O)NC3COC3)c3nc4ccccc4n3c2n1
InChIInChI=1S/C25H28N6O2/c1-14-8-22(30-10-15(2)26-16(3)11-30)18-9-19(25(32)28-17-12-33-13-17)24-29-20-6-4-5-7-21(20)31(24)23(18)27-14/h4-9,15-17,26H,10-13H2,1-3H3,(H,28,32)
InChIKeyOJDJXSAIJDDJAK-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.66
Rot. Bonds3

About 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 122511382) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID122511382
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCc1cc(N2CC(C)NC(C)C2)c2cc(C(=O)NC3COC3)c3nc4ccccc4n3c2n1
InChIInChI=1S/C25H28N6O2/c1-14-8-22(30-10-15(2)26-16(3)11-30)18-9-19(25(32)28-17-12-33-13-17)24-29-20-6-4-5-7-21(20)31(24)23(18)27-14/h4-9,15-17,26H,10-13H2,1-3H3,(H,28,32)
InChIKeyOJDJXSAIJDDJAK-UHFFFAOYSA-N
XLogP2.66
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide 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 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 122511382) is 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is Cc1cc(N2CC(C)NC(C)C2)c2cc(C(=O)NC3COC3)c3nc4ccccc4n3c2n1.
What is the InChIKey of 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is OJDJXSAIJDDJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-14-8-22(30-10-15(2)26-16(3)11-30)18-9-19(25(32)28-17-12-33-13-17)24-29-20-6-4-5-7-21(20)31(24)23(18)27-14/h4-9,15-17,26H,10-13H2,1-3H3,(H,28,32).
What are the key properties of 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperazin-1-yl)-2-methyl-N-(oxetan-3-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 122511382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).