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

C26H32FN7O2 — CID 146530590

IUPAC7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCN(C)CC5)nc4)cc3c21
InChIInChI=1S/C26H32FN7O2/c1-17(2)34-24-20-14-19(21(27)15-22(20)29-30-25(24)32(4)26(34)35)18-6-7-23(28-16-18)36-13-5-8-33-11-9-31(3)10-12-33/h6-7,14-17H,5,8-13H2,1-4H3
InChIKeySZWAOZFEAGDCSW-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.08
Rot. Bonds7

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

7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 146530590) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is 7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
PubChem CID146530590
Molecular FormulaC26H32FN7O2
Molecular Weight493.59 g/mol
Exact Mass493.26
IUPAC Name7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCN(C)CC5)nc4)cc3c21
InChIInChI=1S/C26H32FN7O2/c1-17(2)34-24-20-14-19(21(27)15-22(20)29-30-25(24)32(4)26(34)35)18-6-7-23(28-16-18)36-13-5-8-33-11-9-31(3)10-12-33/h6-7,14-17H,5,8-13H2,1-4H3
InChIKeySZWAOZFEAGDCSW-UHFFFAOYSA-N
XLogP3.08
TPSA81.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 146530590) is 7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCN(C)CC5)nc4)cc3c21.
What is the InChIKey of 7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is SZWAOZFEAGDCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-17(2)34-24-20-14-19(21(27)15-22(20)29-30-25(24)32(4)26(34)35)18-6-7-23(28-16-18)36-13-5-8-33-11-9-31(3)10-12-33/h6-7,14-17H,5,8-13H2,1-4H3.
What are the key properties of 7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 493.59 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 146530590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).