7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C26H30F2N6O2 — CID 146530464

IUPAC7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCC(F)CC5)nc4)cc3c21
InChIInChI=1S/C26H30F2N6O2/c1-16(2)34-24-20-13-19(21(28)14-22(20)30-31-25(24)32(3)26(34)35)17-5-6-23(29-15-17)36-12-4-9-33-10-7-18(27)8-11-33/h5-6,13-16,18H,4,7-12H2,1-3H3
InChIKeyIAWLWEIRGGUDTG-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.27
Rot. Bonds7

About 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 146530464) has the molecular formula C26H30F2N6O2 and a molecular weight of 496.56 g/mol. Its IUPAC name is 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
PubChem CID146530464
Molecular FormulaC26H30F2N6O2
Molecular Weight496.56 g/mol
Exact Mass496.24
IUPAC Name7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCC(F)CC5)nc4)cc3c21
InChIInChI=1S/C26H30F2N6O2/c1-16(2)34-24-20-13-19(21(28)14-22(20)30-31-25(24)32(3)26(34)35)17-5-6-23(29-15-17)36-12-4-9-33-10-7-18(27)8-11-33/h5-6,13-16,18H,4,7-12H2,1-3H3
InChIKeyIAWLWEIRGGUDTG-UHFFFAOYSA-N
XLogP4.27
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 146530464) is 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCC(F)CC5)nc4)cc3c21.
What is the InChIKey of 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is IAWLWEIRGGUDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O2/c1-16(2)34-24-20-13-19(21(28)14-22(20)30-31-25(24)32(3)26(34)35)17-5-6-23(29-15-17)36-12-4-9-33-10-7-18(27)8-11-33/h5-6,13-16,18H,4,7-12H2,1-3H3.
What are the key properties of 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 496.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 146530464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).