8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one

C22H25N7O2 — CID 67348760

IUPAC8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(CCN2CCNCC2)c(=O)n4C)cn1
InChIInChI=1S/C22H25N7O2/c1-27-18-14-24-17-5-4-16(15-3-6-19(31-2)25-13-15)26-20(17)21(18)29(22(27)30)12-11-28-9-7-23-8-10-28/h3-6,13-14,23H,7-12H2,1-2H3
InChIKeyKLHGJLLNTSJYSP-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.26
Rot. Bonds5

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

8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 67348760) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID67348760
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(CCN2CCNCC2)c(=O)n4C)cn1
InChIInChI=1S/C22H25N7O2/c1-27-18-14-24-17-5-4-16(15-3-6-19(31-2)25-13-15)26-20(17)21(18)29(22(27)30)12-11-28-9-7-23-8-10-28/h3-6,13-14,23H,7-12H2,1-2H3
InChIKeyKLHGJLLNTSJYSP-UHFFFAOYSA-N
XLogP1.26
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 67348760) is 8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one is COc1ccc(-c2ccc3ncc4c(c3n2)n(CCN2CCNCC2)c(=O)n4C)cn1.
What is the InChIKey of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is KLHGJLLNTSJYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-27-18-14-24-17-5-4-16(15-3-6-19(31-2)25-13-15)26-20(17)21(18)29(22(27)30)12-11-28-9-7-23-8-10-28/h3-6,13-14,23H,7-12H2,1-2H3.
What are the key properties of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 419.49 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 67348760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).