[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone

C35H32N4O3 — CID 22115879

About [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone

[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone (PubChem CID 22115879) has the molecular formula C35H32N4O3 and a molecular weight of 556.67 g/mol. Its IUPAC name is [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone
• PubChem CID: 22115879
• Molecular Formula: C35H32N4O3
• Molecular Weight: 556.67 g/mol
• Exact Mass: 556.25
• IUPAC Name: [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone
• SMILES: Cc1nnc(-c2cccc3c(-c4ccc(C(=O)N5CCc6cc7c(cc65)C5(CCN(C)CC5)CO7)cc4)cccc23)o1
• InChI: InChI=1S/C35H32N4O3/c1-22-36-37-33(42-22)29-8-4-6-27-26(5-3-7-28(27)29)23-9-11-24(12-10-23)34(40)39-16-13-25-19-32-30(20-31(25)39)35(21-41-32)14-17-38(2)18-15-35/h3-12,19-20H,13-18,21H2,1-2H3
• InChIKey: KXFMIHWQUGJIQY-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.67
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone?

The IUPAC name of [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone (CID 22115879) is [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone.

What is the SMILES notation for [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone?

The canonical SMILES for [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone is Cc1nnc(-c2cccc3c(-c4ccc(C(=O)N5CCc6cc7c(cc65)C5(CCN(C)CC5)CO7)cc4)cccc23)o1.

What is the InChIKey of [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone?

The InChIKey is KXFMIHWQUGJIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O3/c1-22-36-37-33(42-22)29-8-4-6-27-26(5-3-7-28(27)29)23-9-11-24(12-10-23)34(40)39-16-13-25-19-32-30(20-31(25)39)35(21-41-32)14-17-38(2)18-15-35/h3-12,19-20H,13-18,21H2,1-2H3.

What are the key properties of [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone?

[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone has a molecular weight of 556.67 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone is sourced from PubChem (CID 22115879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).