1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one

C23H20N6O2 — CID 118724104

IUPAC1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one
SMILESCOc1cc(NCc2ccc3cnc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)ccn1
InChIInChI=1S/C23H20N6O2/c1-31-19-11-17(9-10-24-19)25-13-18-8-7-16-12-26-22-21(20(16)27-18)29(23(30)28-22)14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,24,25)(H,26,28,30)
InChIKeyXZVWZCRFLQMDCI-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.34
Rot. Bonds6

About 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one

1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one (PubChem CID 118724104) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one
PubChem CID118724104
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one
SMILESCOc1cc(NCc2ccc3cnc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)ccn1
InChIInChI=1S/C23H20N6O2/c1-31-19-11-17(9-10-24-19)25-13-18-8-7-16-12-26-22-21(20(16)27-18)29(23(30)28-22)14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,24,25)(H,26,28,30)
InChIKeyXZVWZCRFLQMDCI-UHFFFAOYSA-N
XLogP3.34
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one?
The IUPAC name of 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one (CID 118724104) is 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one?
The canonical SMILES for 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one is COc1cc(NCc2ccc3cnc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)ccn1.
What is the InChIKey of 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one?
The InChIKey is XZVWZCRFLQMDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-31-19-11-17(9-10-24-19)25-13-18-8-7-16-12-26-22-21(20(16)27-18)29(23(30)28-22)14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,24,25)(H,26,28,30).
What are the key properties of 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one?
1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one has a molecular weight of 412.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-[[(2-methoxy-4-pyridinyl)amino]methyl]-3H-imidazo[4,5-h][1,6]naphthyridin-2-one is sourced from PubChem (CID 118724104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).