(1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H17FN2O5 — CID 41132429

IUPAC(1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1OC
InChIInChI=1S/C24H17FN2O5/c1-30-17-7-5-6-14(22(17)31-2)20-19-21(28)15-12-13(25)9-10-16(15)32-23(19)24(29)27(20)18-8-3-4-11-26-18/h3-12,20H,1-2H3/t20-/m1/s1
InChIKeySRESKURJBMVPGY-HXUWFJFHSA-N
MW432.41 g/mol
LogP4.09
Rot. Bonds4

About (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41132429) has the molecular formula C24H17FN2O5 and a molecular weight of 432.41 g/mol. Its IUPAC name is (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41132429
Molecular FormulaC24H17FN2O5
Molecular Weight432.41 g/mol
Exact Mass432.11
IUPAC Name(1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1OC
InChIInChI=1S/C24H17FN2O5/c1-30-17-7-5-6-14(22(17)31-2)20-19-21(28)15-12-13(25)9-10-16(15)32-23(19)24(29)27(20)18-8-3-4-11-26-18/h3-12,20H,1-2H3/t20-/m1/s1
InChIKeySRESKURJBMVPGY-HXUWFJFHSA-N
XLogP4.09
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4973745
1-(4-tert-butylphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708870
(1S)-1-(3-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7578256
7-fluoro-2-(4-methyl-2-pyridinyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4912458
1-(4-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708858
7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708906
1-(3-fluorophenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4043740
7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708892
1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3429192
2-(5-chloro-2-pyridinyl)-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3285345
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820782
(1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41074042

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41132429) is (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1OC.
What is the InChIKey of (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SRESKURJBMVPGY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H17FN2O5/c1-30-17-7-5-6-14(22(17)31-2)20-19-21(28)15-12-13(25)9-10-16(15)32-23(19)24(29)27(20)18-8-3-4-11-26-18/h3-12,20H,1-2H3/t20-/m1/s1.
What are the key properties of (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 432.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41132429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).