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

C22H17N5O2 — CID 58379584

IUPAC1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)cn1
InChIInChI=1S/C22H17N5O2/c1-29-19-10-7-15(11-24-19)16-8-9-17-20(25-16)21-18(12-23-17)26-22(28)27(21)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,28)
InChIKeyMYAWLPADHVWLNU-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.39
Rot. Bonds4

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

1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379584) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379584
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)cn1
InChIInChI=1S/C22H17N5O2/c1-29-19-10-7-15(11-24-19)16-8-9-17-20(25-16)21-18(12-23-17)26-22(28)27(21)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,28)
InChIKeyMYAWLPADHVWLNU-UHFFFAOYSA-N
XLogP3.39
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379584) is 1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is COc1ccc(-c2ccc3ncc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)cn1.
What is the InChIKey of 1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is MYAWLPADHVWLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-29-19-10-7-15(11-24-19)16-8-9-17-20(25-16)21-18(12-23-17)26-22(28)27(21)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,28).
What are the key properties of 1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 383.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).