(3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone

C22H24N6O — CID 122523593

IUPAC(3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone
SMILESCNc1c(C(=O)N2CC(C)NC(C)C2)c2nc3ccccc3n2c2ccncc12
InChIInChI=1S/C22H24N6O/c1-13-11-27(12-14(2)25-13)22(29)19-20(23-3)15-10-24-9-8-17(15)28-18-7-5-4-6-16(18)26-21(19)28/h4-10,13-14,23,25H,11-12H2,1-3H3
InChIKeyCRWHJHSBLHKGEB-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.90
Rot. Bonds2

About (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone

(3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone (PubChem CID 122523593) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone
PubChem CID122523593
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name(3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone
SMILESCNc1c(C(=O)N2CC(C)NC(C)C2)c2nc3ccccc3n2c2ccncc12
InChIInChI=1S/C22H24N6O/c1-13-11-27(12-14(2)25-13)22(29)19-20(23-3)15-10-24-9-8-17(15)28-18-7-5-4-6-16(18)26-21(19)28/h4-10,13-14,23,25H,11-12H2,1-3H3
InChIKeyCRWHJHSBLHKGEB-UHFFFAOYSA-N
XLogP2.90
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone (CID 122523593) is (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone is CNc1c(C(=O)N2CC(C)NC(C)C2)c2nc3ccccc3n2c2ccncc12.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone?
The InChIKey is CRWHJHSBLHKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-13-11-27(12-14(2)25-13)22(29)19-20(23-3)15-10-24-9-8-17(15)28-18-7-5-4-6-16(18)26-21(19)28/h4-10,13-14,23,25H,11-12H2,1-3H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone?
(3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone has a molecular weight of 388.48 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone is sourced from PubChem (CID 122523593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).