6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one

C28H33FN2O3 — CID 91276942

IUPAC6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one
SMILESC=C1c2c(ccc(OC)c2F)CN1CC(C)(CCCC(C)=O)c1cc2cnc(C)c(CC)c2o1
InChIInChI=1S/C28H33FN2O3/c1-7-22-18(3)30-14-21-13-24(34-27(21)22)28(5,12-8-9-17(2)32)16-31-15-20-10-11-23(33-6)26(29)25(20)19(31)4/h10-11,13-14H,4,7-9,12,15-16H2,1-3,5-6H3
InChIKeyBADBARMHLYHOGN-UHFFFAOYSA-N
MW464.58 g/mol
LogP6.35
Rot. Bonds9

About 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one

6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one (PubChem CID 91276942) has the molecular formula C28H33FN2O3 and a molecular weight of 464.58 g/mol. Its IUPAC name is 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one.

Molecular Properties

Compound Name6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one
PubChem CID91276942
Molecular FormulaC28H33FN2O3
Molecular Weight464.58 g/mol
Exact Mass464.25
IUPAC Name6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one
SMILESC=C1c2c(ccc(OC)c2F)CN1CC(C)(CCCC(C)=O)c1cc2cnc(C)c(CC)c2o1
InChIInChI=1S/C28H33FN2O3/c1-7-22-18(3)30-14-21-13-24(34-27(21)22)28(5,12-8-9-17(2)32)16-31-15-20-10-11-23(33-6)26(29)25(20)19(31)4/h10-11,13-14H,4,7-9,12,15-16H2,1-3,5-6H3
InChIKeyBADBARMHLYHOGN-UHFFFAOYSA-N
XLogP6.35
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one with MolForge

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Related Compounds

6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11508949
6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478
4-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11517940
5-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11597475
4-{2-[6-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl]ethyl}morpholine
CID 11676975
4-(2-{6-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}ethyl)morpholine
CID 11689539
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
4-[4-(6-Methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442508
{1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}(furan-2-yl)methanone
CID 4127205
5-Methoxy-3-[5-(5-methoxy-1-methylindol-3-yl)furan-2-yl]-1-methylindole
CID 45028187
7-(4-Methoxybenzyl)-6-phenyl-5,4-e]isoindole
CID 54613109
(4-Methoxyphenyl)-[1-(oxan-4-ylmethyl)-5-propoxyindol-3-yl]methanone
CID 145990912

Frequently Asked Questions

What is the IUPAC name of 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one?
The IUPAC name of 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one (CID 91276942) is 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one.
What is the SMILES notation for 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one?
The canonical SMILES for 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one is C=C1c2c(ccc(OC)c2F)CN1CC(C)(CCCC(C)=O)c1cc2cnc(C)c(CC)c2o1.
What is the InChIKey of 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one?
The InChIKey is BADBARMHLYHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O3/c1-7-22-18(3)30-14-21-13-24(34-27(21)22)28(5,12-8-9-17(2)32)16-31-15-20-10-11-23(33-6)26(29)25(20)19(31)4/h10-11,13-14H,4,7-9,12,15-16H2,1-3,5-6H3.
What are the key properties of 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one?
6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one has a molecular weight of 464.58 g/mol, XLogP of 6.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-ethyl-6-methylfuro[3,2-c]pyridin-2-yl)-7-(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)-6-methylheptan-2-one is sourced from PubChem (CID 91276942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).