(1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H12FN3O3S — CID 41073695

About (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41073695) has the molecular formula C23H12FN3O3S and a molecular weight of 429.43 g/mol. Its IUPAC name is (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 41073695
• Molecular Formula: C23H12FN3O3S
• Molecular Weight: 429.43 g/mol
• Exact Mass: 429.06
• IUPAC Name: (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1c1nc2ccc(F)cc2s1
• InChI: InChI=1S/C23H12FN3O3S/c24-13-7-8-15-17(10-13)31-23(26-15)27-19(12-4-3-9-25-11-12)18-20(28)14-5-1-2-6-16(14)30-21(18)22(27)29/h1-11,19H/t19-/m1/s1
• InChIKey: CPMRKENDQJYILX-LJQANCHMSA-N
• XLogP: 4.69
• TPSA: 76.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41073695) is (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1c1nc2ccc(F)cc2s1.

What is the InChIKey of (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is CPMRKENDQJYILX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H12FN3O3S/c24-13-7-8-15-17(10-13)31-23(26-15)27-19(12-4-3-9-25-11-12)18-20(28)14-5-1-2-6-16(14)30-21(18)22(27)29/h1-11,19H/t19-/m1/s1.

What are the key properties of (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 429.43 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41073695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).