1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H12FN3O3 — CID 4212829

IUPAC1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1c1ncccn1
InChIInChI=1S/C21H12FN3O3/c22-13-8-6-12(7-9-13)17-16-18(26)14-4-1-2-5-15(14)28-19(16)20(27)25(17)21-23-10-3-11-24-21/h1-11,17H
InChIKeyANTVNBYMBUAFRV-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.47
Rot. Bonds2

About 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4212829) has the molecular formula C21H12FN3O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4212829
Molecular FormulaC21H12FN3O3
Molecular Weight373.34 g/mol
Exact Mass373.09
IUPAC Name1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1c1ncccn1
InChIInChI=1S/C21H12FN3O3/c22-13-8-6-12(7-9-13)17-16-18(26)14-4-1-2-5-15(14)28-19(16)20(27)25(17)21-23-10-3-11-24-21/h1-11,17H
InChIKeyANTVNBYMBUAFRV-UHFFFAOYSA-N
XLogP3.47
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852061
2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3333108
1-(4-pentoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819123
1-(3-methoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3745078
1-(4-butoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820787
1-(4-fluorophenyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4220056
1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4035616
1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3295716
1-(4-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708858
7-chloro-1-(4-methylsulfanylphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3784300
1-(4-tert-butylphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708870
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820782

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4212829) is 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1c1ncccn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ANTVNBYMBUAFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN3O3/c22-13-8-6-12(7-9-13)17-16-18(26)14-4-1-2-5-15(14)28-19(16)20(27)25(17)21-23-10-3-11-24-21/h1-11,17H.
What are the key properties of 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 373.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4212829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).