7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H21FN2O6 — CID 4207714

IUPAC7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC
InChIInChI=1S/C26H21FN2O6/c1-32-19-9-15(10-20(33-2)24(19)34-3)22-21-23(30)17-11-16(27)6-7-18(17)35-25(21)26(31)29(22)13-14-5-4-8-28-12-14/h4-12,22H,13H2,1-3H3
InChIKeyJBBDAEZYYLJCCO-UHFFFAOYSA-N
MW476.46 g/mol
LogP4.10
Rot. Bonds6

About 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4207714) has the molecular formula C26H21FN2O6 and a molecular weight of 476.46 g/mol. Its IUPAC name is 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4207714
Molecular FormulaC26H21FN2O6
Molecular Weight476.46 g/mol
Exact Mass476.14
IUPAC Name7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC
InChIInChI=1S/C26H21FN2O6/c1-32-19-9-15(10-20(33-2)24(19)34-3)22-21-23(30)17-11-16(27)6-7-18(17)35-25(21)26(31)29(22)13-14-5-4-8-28-12-14/h4-12,22H,13H2,1-3H3
InChIKeyJBBDAEZYYLJCCO-UHFFFAOYSA-N
XLogP4.10
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

(1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40541745
(1R)-1-(3,4-dimethoxyphenyl)-7-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841817
(1S)-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841816
(1S)-2-(pyridin-4-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316976
(1S)-2-benzyl-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315202
7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809799
(1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841951
7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4902261
2-benzyl-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810446
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810330
7-chloro-1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3790908
7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855665

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4207714) is 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC.
What is the InChIKey of 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JBBDAEZYYLJCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O6/c1-32-19-9-15(10-20(33-2)24(19)34-3)22-21-23(30)17-11-16(27)6-7-18(17)35-25(21)26(31)29(22)13-14-5-4-8-28-12-14/h4-12,22H,13H2,1-3H3.
What are the key properties of 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 476.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4207714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).