3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C25H30N6O2 — CID 170648164

IUPAC3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(COC5CCN(C)CC5)nc4)cc3c21
InChIInChI=1S/C25H30N6O2/c1-16(2)31-23-21-13-17(6-8-22(21)27-28-24(23)30(4)25(31)32)18-5-7-19(26-14-18)15-33-20-9-11-29(3)12-10-20/h5-8,13-14,16,20H,9-12,15H2,1-4H3
InChIKeyYLLOQIYZDZNASI-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.54
Rot. Bonds5

About 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648164) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
PubChem CID170648164
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(COC5CCN(C)CC5)nc4)cc3c21
InChIInChI=1S/C25H30N6O2/c1-16(2)31-23-21-13-17(6-8-22(21)27-28-24(23)30(4)25(31)32)18-5-7-19(26-14-18)15-33-20-9-11-29(3)12-10-20/h5-8,13-14,16,20H,9-12,15H2,1-4H3
InChIKeyYLLOQIYZDZNASI-UHFFFAOYSA-N
XLogP3.54
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648164) is 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(COC5CCN(C)CC5)nc4)cc3c21.
What is the InChIKey of 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is YLLOQIYZDZNASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16(2)31-23-21-13-17(6-8-22(21)27-28-24(23)30(4)25(31)32)18-5-7-19(26-14-18)15-33-20-9-11-29(3)12-10-20/h5-8,13-14,16,20H,9-12,15H2,1-4H3.
What are the key properties of 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 446.56 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).