methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate

C30H23Cl2N3O5 — CID 146531688

About methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate

methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate (PubChem CID 146531688) has the molecular formula C30H23Cl2N3O5 and a molecular weight of 576.44 g/mol. Its IUPAC name is methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate
• PubChem CID: 146531688
• Molecular Formula: C30H23Cl2N3O5
• Molecular Weight: 576.44 g/mol
• Exact Mass: 575.10
• IUPAC Name: methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate
• SMILES: COC(=O)c1ccc(N2C(=O)C3(CC3)c3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)nc1
• InChI: InChI=1S/C30H23Cl2N3O5/c1-38-28(36)17-7-10-24(33-14-17)35-23-9-8-18(13-20(23)30(11-12-30)29(35)37)39-15-19-26(34-40-27(19)16-5-6-16)25-21(31)3-2-4-22(25)32/h2-4,7-10,13-14,16H,5-6,11-12,15H2,1H3
• InChIKey: DUXLIOBHDQRTKT-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 94.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.44
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate?

The IUPAC name of methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate (CID 146531688) is methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate?

The canonical SMILES for methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2C(=O)C3(CC3)c3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)nc1.

What is the InChIKey of methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate?

The InChIKey is DUXLIOBHDQRTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Cl2N3O5/c1-38-28(36)17-7-10-24(33-14-17)35-23-9-8-18(13-20(23)30(11-12-30)29(35)37)39-15-19-26(34-40-27(19)16-5-6-16)25-21(31)3-2-4-22(25)32/h2-4,7-10,13-14,16H,5-6,11-12,15H2,1H3.

What are the key properties of methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate?

methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate has a molecular weight of 576.44 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate is sourced from PubChem (CID 146531688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).