(1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H17FN2O4 — CID 40541745

IUPAC(1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)c1
InChIInChI=1S/C24H17FN2O4/c1-30-17-6-2-5-15(10-17)21-20-22(28)18-11-16(25)7-8-19(18)31-23(20)24(29)27(21)13-14-4-3-9-26-12-14/h2-12,21H,13H2,1H3/t21-/m0/s1
InChIKeyZJYMENWEMPHJFR-NRFANRHFSA-N
MW416.41 g/mol
LogP4.08
Rot. Bonds4

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

(1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40541745) has the molecular formula C24H17FN2O4 and a molecular weight of 416.41 g/mol. Its IUPAC name is (1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40541745
Molecular FormulaC24H17FN2O4
Molecular Weight416.41 g/mol
Exact Mass416.12
IUPAC Name(1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)c1
InChIInChI=1S/C24H17FN2O4/c1-30-17-6-2-5-15(10-17)21-20-22(28)18-11-16(25)7-8-19(18)31-23(20)24(29)27(21)13-14-4-3-9-26-12-14/h2-12,21H,13H2,1H3/t21-/m0/s1
InChIKeyZJYMENWEMPHJFR-NRFANRHFSA-N
XLogP4.08
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4207714
2-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3264615
7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2960037
(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034380
(1R)-1-(3,4-dimethoxyphenyl)-7-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841817
7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4902261
1-(3-pentoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113894
(1S)-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841816
7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820673
(1S)-7-chloro-1-(4-methoxyphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2038804
(1S)-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841742
(1S)-2-benzyl-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315202

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40541745) is (1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)c1.
What is the InChIKey of (1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZJYMENWEMPHJFR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H17FN2O4/c1-30-17-6-2-5-15(10-17)21-20-22(28)18-11-16(25)7-8-19(18)31-23(20)24(29)27(21)13-14-4-3-9-26-12-14/h2-12,21H,13H2,1H3/t21-/m0/s1.
What are the key properties of (1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 416.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40541745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).