2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide

C28H26FN3O5 — CID 123142426

About 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide

2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide (PubChem CID 123142426) has the molecular formula C28H26FN3O5 and a molecular weight of 503.53 g/mol. Its IUPAC name is 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide
• PubChem CID: 123142426
• Molecular Formula: C28H26FN3O5
• Molecular Weight: 503.53 g/mol
• Exact Mass: 503.19
• IUPAC Name: 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide
• SMILES: CC(C)(C(=O)NC=O)C1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21
• InChI: InChI=1S/C28H26FN3O5/c1-28(2,27(35)30-16-33)23-19-4-3-5-21(29)24(19)37-25-20(23)10-11-22(31-25)17-6-8-18(9-7-17)26(34)32-12-14-36-15-13-32/h3-11,16,23H,12-15H2,1-2H3,(H,30,33,35)
• InChIKey: GQDYSDWVGBFLFP-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.53
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide?

The IUPAC name of 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide (CID 123142426) is 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide.

What is the SMILES notation for 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide?

The canonical SMILES for 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide is CC(C)(C(=O)NC=O)C1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21.

What is the InChIKey of 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide?

The InChIKey is GQDYSDWVGBFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O5/c1-28(2,27(35)30-16-33)23-19-4-3-5-21(29)24(19)37-25-20(23)10-11-22(31-25)17-6-8-18(9-7-17)26(34)32-12-14-36-15-13-32/h3-11,16,23H,12-15H2,1-2H3,(H,30,33,35).

What are the key properties of 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide?

2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide has a molecular weight of 503.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide is sourced from PubChem (CID 123142426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).