3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C27H34N6O2 — CID 138494910

IUPAC3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCc1cc2nnc3c(c2cc1-c1ccc(OCCCN2CCCCC2)nc1)n(C(C)C)c(=O)n3C
InChIInChI=1S/C27H34N6O2/c1-18(2)33-25-22-16-21(19(3)15-23(22)29-30-26(25)31(4)27(33)34)20-9-10-24(28-17-20)35-14-8-13-32-11-6-5-7-12-32/h9-10,15-18H,5-8,11-14H2,1-4H3
InChIKeyUIAJNKRNEALTSJ-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.49
Rot. Bonds7

About 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 138494910) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
PubChem CID138494910
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCc1cc2nnc3c(c2cc1-c1ccc(OCCCN2CCCCC2)nc1)n(C(C)C)c(=O)n3C
InChIInChI=1S/C27H34N6O2/c1-18(2)33-25-22-16-21(19(3)15-23(22)29-30-26(25)31(4)27(33)34)20-9-10-24(28-17-20)35-14-8-13-32-11-6-5-7-12-32/h9-10,15-18H,5-8,11-14H2,1-4H3
InChIKeyUIAJNKRNEALTSJ-UHFFFAOYSA-N
XLogP4.49
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-3-methyl-8-[6-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 151524519
7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 146530799
3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648216
8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648158
3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one
CID 170648368
8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648365
8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648318
8-[6-[2-(3-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648288
8-[6-[(1S)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648246
8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648247
7-fluoro-1-(3-methoxycyclobutyl)-3-methyl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118523351
8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648214

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 138494910) is 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is Cc1cc2nnc3c(c2cc1-c1ccc(OCCCN2CCCCC2)nc1)n(C(C)C)c(=O)n3C.
What is the InChIKey of 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is UIAJNKRNEALTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-18(2)33-25-22-16-21(19(3)15-23(22)29-30-26(25)31(4)27(33)34)20-9-10-24(28-17-20)35-14-8-13-32-11-6-5-7-12-32/h9-10,15-18H,5-8,11-14H2,1-4H3.
What are the key properties of 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 474.61 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 138494910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).