2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide

C21H24N8O2 — CID 58379504

IUPAC2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C21H24N8O2/c1-26-11-13(9-24-26)15-3-4-16-19(25-15)20-17(10-23-16)27(2)21(31)29(20)14-5-7-28(8-6-14)12-18(22)30/h3-4,9-11,14H,5-8,12H2,1-2H3,(H2,22,30)
InChIKeyYMXMANNCXGRUKW-UHFFFAOYSA-N
MW420.48 g/mol
LogP0.81
Rot. Bonds4

About 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide

2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide (PubChem CID 58379504) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
PubChem CID58379504
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C21H24N8O2/c1-26-11-13(9-24-26)15-3-4-16-19(25-15)20-17(10-23-16)27(2)21(31)29(20)14-5-7-28(8-6-14)12-18(22)30/h3-4,9-11,14H,5-8,12H2,1-2H3,(H2,22,30)
InChIKeyYMXMANNCXGRUKW-UHFFFAOYSA-N
XLogP0.81
TPSA116.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide (CID 58379504) is 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide is Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
The InChIKey is YMXMANNCXGRUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-26-11-13(9-24-26)15-3-4-16-19(25-15)20-17(10-23-16)27(2)21(31)29(20)14-5-7-28(8-6-14)12-18(22)30/h3-4,9-11,14H,5-8,12H2,1-2H3,(H2,22,30).
What are the key properties of 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 58379504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).