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

C26H29FN6O3 — CID 151524519

IUPAC7-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
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CC6(COC6)C5)nc4)cc3c21
InChIInChI=1S/C26H29FN6O3/c1-16(2)33-23-19-9-18(20(27)10-21(19)29-30-24(23)31(3)25(33)34)17-5-6-22(28-11-17)36-8-4-7-32-12-26(13-32)14-35-15-26/h5-6,9-11,16H,4,7-8,12-15H2,1-3H3
InChIKeyPVEAQAXOZICBCB-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.17
Rot. Bonds7

About 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

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 (PubChem CID 151524519) has the molecular formula C26H29FN6O3 and a molecular weight of 492.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID151524519
Molecular FormulaC26H29FN6O3
Molecular Weight492.56 g/mol
Exact Mass492.23
IUPAC Name7-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
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CC6(COC6)C5)nc4)cc3c21
InChIInChI=1S/C26H29FN6O3/c1-16(2)33-23-19-9-18(20(27)10-21(19)29-30-24(23)31(3)25(33)34)17-5-6-22(28-11-17)36-8-4-7-32-12-26(13-32)14-35-15-26/h5-6,9-11,16H,4,7-8,12-15H2,1-3H3
InChIKeyPVEAQAXOZICBCB-UHFFFAOYSA-N
XLogP3.17
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CC6(COC6)C5)nc4)cc3c21.
What is the InChIKey of 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?
The InChIKey is PVEAQAXOZICBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3/c1-16(2)33-23-19-9-18(20(27)10-21(19)29-30-24(23)31(3)25(33)34)17-5-6-22(28-11-17)36-8-4-7-32-12-26(13-32)14-35-15-26/h5-6,9-11,16H,4,7-8,12-15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 492.56 g/mol, XLogP of 3.17, 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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 151524519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).