7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H18FN3O4 — CID 3848651

IUPAC7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(OCc3ccccc3)c2)N1c1ncccn1
InChIInChI=1S/C28H18FN3O4/c29-19-10-11-22-21(15-19)25(33)23-24(32(27(34)26(23)36-22)28-30-12-5-13-31-28)18-8-4-9-20(14-18)35-16-17-6-2-1-3-7-17/h1-15,24H,16H2
InChIKeyUZUFJJPVAVDNMZ-UHFFFAOYSA-N
MW479.47 g/mol
LogP5.05
Rot. Bonds5

About 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3848651) has the molecular formula C28H18FN3O4 and a molecular weight of 479.47 g/mol. Its IUPAC name is 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3848651
Molecular FormulaC28H18FN3O4
Molecular Weight479.47 g/mol
Exact Mass479.13
IUPAC Name7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(OCc3ccccc3)c2)N1c1ncccn1
InChIInChI=1S/C28H18FN3O4/c29-19-10-11-22-21(15-19)25(33)23-24(32(27(34)26(23)36-22)28-30-12-5-13-31-28)18-8-4-9-20(14-18)35-16-17-6-2-1-3-7-17/h1-15,24H,16H2
InChIKeyUZUFJJPVAVDNMZ-UHFFFAOYSA-N
XLogP5.05
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708360
7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856025
2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852657
1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4035616
7-chloro-1-(3-phenoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3931970
7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708892
7-methyl-2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858005
1-(4-butoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820787
1-(3-methoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3745078
7-bromo-2-(3-chlorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855006
7-chloro-1-(3-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706915
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 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3848651) is 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(OCc3ccccc3)c2)N1c1ncccn1.
What is the InChIKey of 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UZUFJJPVAVDNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN3O4/c29-19-10-11-22-21(15-19)25(33)23-24(32(27(34)26(23)36-22)28-30-12-5-13-31-28)18-8-4-9-20(14-18)35-16-17-6-2-1-3-7-17/h1-15,24H,16H2.
What are the key properties of 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 479.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3848651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).