2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C24H27FN6O — CID 122511370

IUPAC2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCC(C)NC(=O)c1cc2cc(F)c(N3CC(C)NC(C)C3)nc2n2c1nc1ccccc12
InChIInChI=1S/C24H27FN6O/c1-13(2)26-24(32)17-9-16-10-18(25)23(30-11-14(3)27-15(4)12-30)29-21(16)31-20-8-6-5-7-19(20)28-22(17)31/h5-10,13-15,27H,11-12H2,1-4H3,(H,26,32)
InChIKeyUQFXGPUTEUMYGY-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.50
Rot. Bonds3

About 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 122511370) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID122511370
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCC(C)NC(=O)c1cc2cc(F)c(N3CC(C)NC(C)C3)nc2n2c1nc1ccccc12
InChIInChI=1S/C24H27FN6O/c1-13(2)26-24(32)17-9-16-10-18(25)23(30-11-14(3)27-15(4)12-30)29-21(16)31-20-8-6-5-7-19(20)28-22(17)31/h5-10,13-15,27H,11-12H2,1-4H3,(H,26,32)
InChIKeyUQFXGPUTEUMYGY-UHFFFAOYSA-N
XLogP3.50
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 122511370) is 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CC(C)NC(=O)c1cc2cc(F)c(N3CC(C)NC(C)C3)nc2n2c1nc1ccccc12.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is UQFXGPUTEUMYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-13(2)26-24(32)17-9-16-10-18(25)23(30-11-14(3)27-15(4)12-30)29-21(16)31-20-8-6-5-7-19(20)28-22(17)31/h5-10,13-15,27H,11-12H2,1-4H3,(H,26,32).
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 122511370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).