methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate

C24H21FN2O5 — CID 74744788

IUPACmethyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
SMILESCOC(=O)c1ccc(C2C3=C(OC4CCC(F)CC4C3=O)C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C24H21FN2O5/c1-31-24(30)14-7-5-13(6-8-14)20-19-21(28)16-12-15(25)9-10-17(16)32-22(19)23(29)27(20)18-4-2-3-11-26-18/h2-8,11,15-17,20H,9-10,12H2,1H3
InChIKeyQDQSFXQMQLJPLL-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.32
Rot. Bonds3

About methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate

methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate (PubChem CID 74744788) has the molecular formula C24H21FN2O5 and a molecular weight of 436.44 g/mol. Its IUPAC name is methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
PubChem CID74744788
Molecular FormulaC24H21FN2O5
Molecular Weight436.44 g/mol
Exact Mass436.14
IUPAC Namemethyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
SMILESCOC(=O)c1ccc(C2C3=C(OC4CCC(F)CC4C3=O)C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C24H21FN2O5/c1-31-24(30)14-7-5-13(6-8-14)20-19-21(28)16-12-15(25)9-10-17(16)32-22(19)23(29)27(20)18-4-2-3-11-26-18/h2-8,11,15-17,20H,9-10,12H2,1H3
InChIKeyQDQSFXQMQLJPLL-UHFFFAOYSA-N
XLogP3.32
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate with MolForge

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Related Compounds

7-fluoro-1-(3-propoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74744782
1-(4-tert-butylphenyl)-7-methyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74720945
methyl 4-[7-fluoro-3,9-dioxo-2-(3-propan-2-yloxypropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 78254498
1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74685402
7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78371087
7-methyl-1,2-dipyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78371578
7-fluoro-2-(6-methyl-2-pyridinyl)-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74721517
7-methyl-2-pyridin-2-yl-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78372607
1-(4-butoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78331082
7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78370752
1-(4-fluorophenyl)-7-methyl-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78317045
methyl 4-[(3Z)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxo-1-pyridin-2-ylpyrrolidin-2-yl]benzoate
CID 23794178

Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate?
The IUPAC name of methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate (CID 74744788) is methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate.
What is the SMILES notation for methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate?
The canonical SMILES for methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate is COC(=O)c1ccc(C2C3=C(OC4CCC(F)CC4C3=O)C(=O)N2c2ccccn2)cc1.
What is the InChIKey of methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate?
The InChIKey is QDQSFXQMQLJPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O5/c1-31-24(30)14-7-5-13(6-8-14)20-19-21(28)16-12-15(25)9-10-17(16)32-22(19)23(29)27(20)18-4-2-3-11-26-18/h2-8,11,15-17,20H,9-10,12H2,1H3.
What are the key properties of methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate?
methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate has a molecular weight of 436.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate is sourced from PubChem (CID 74744788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).