8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C21H23N7O2 — CID 58379573

IUPAC8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C21H23N7O2/c1-26-8-6-14(7-9-26)28-19-17(27(2)21(28)29)12-22-16-5-4-15(25-18(16)19)13-10-23-20(30-3)24-11-13/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyMZAXEMDPTLSROA-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.02
Rot. Bonds3

About 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379573) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379573
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C21H23N7O2/c1-26-8-6-14(7-9-26)28-19-17(27(2)21(28)29)12-22-16-5-4-15(25-18(16)19)13-10-23-20(30-3)24-11-13/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyMZAXEMDPTLSROA-UHFFFAOYSA-N
XLogP2.02
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379573) is 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C)CC2)c(=O)n4C)cn1.
What is the InChIKey of 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is MZAXEMDPTLSROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-26-8-6-14(7-9-26)28-19-17(27(2)21(28)29)12-22-16-5-4-15(25-18(16)19)13-10-23-20(30-3)24-11-13/h4-5,10-12,14H,6-9H2,1-3H3.
What are the key properties of 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 405.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).