5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate

C33H30N3O6- — CID 59761582

About 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate

5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate (PubChem CID 59761582) has the molecular formula C33H30N3O6- and a molecular weight of 564.62 g/mol. Its IUPAC name is 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate
• PubChem CID: 59761582
• Molecular Formula: C33H30N3O6-
• Molecular Weight: 564.62 g/mol
• Exact Mass: 564.21
• IUPAC Name: 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate
• SMILES: CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)[O-])c4)ccc2O3)cc2c1ccn2C1CC1
• InChI: InChI=1S/C33H31N3O6/c1-2-41-30-16-21(15-27-25(30)7-10-36(27)24-4-5-24)31(38)35-11-8-33(9-12-35)17-28(37)26-14-20(3-6-29(26)42-33)22-13-23(32(39)40)19-34-18-22/h3,6-7,10,13-16,18-19,24H,2,4-5,8-9,11-12,17H2,1H3,(H,39,40)/p-1
• InChIKey: NDNZESXOYGRKNN-UHFFFAOYSA-M
• XLogP: 4.44
• TPSA: 113.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.62
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate?

The IUPAC name of 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate (CID 59761582) is 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate.

What is the SMILES notation for 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate?

The canonical SMILES for 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate is CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)[O-])c4)ccc2O3)cc2c1ccn2C1CC1.

What is the InChIKey of 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate?

The InChIKey is NDNZESXOYGRKNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H31N3O6/c1-2-41-30-16-21(15-27-25(30)7-10-36(27)24-4-5-24)31(38)35-11-8-33(9-12-35)17-28(37)26-14-20(3-6-29(26)42-33)22-13-23(32(39)40)19-34-18-22/h3,6-7,10,13-16,18-19,24H,2,4-5,8-9,11-12,17H2,1H3,(H,39,40)/p-1.

What are the key properties of 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate?

5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate has a molecular weight of 564.62 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate is sourced from PubChem (CID 59761582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).