[3-methyl-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

C36H34N4O3 — CID 22115882

About [3-methyl-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

[3-methyl-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 22115882) has the molecular formula C36H34N4O3 and a molecular weight of 570.69 g/mol. Its IUPAC name is [3-methyl-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: [3-methyl-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: 22115882
• Molecular Formula: C36H34N4O3
• Molecular Weight: 570.69 g/mol
• Exact Mass: 570.26
• IUPAC Name: [3-methyl-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)cc4C)cccc23)o1
• InChI: InChI=1S/C36H34N4O3/c1-22-18-25(10-11-26(22)27-6-4-8-29-28(27)7-5-9-30(29)34-38-37-23(2)43-34)35(41)40-15-12-24-19-33-31(20-32(24)40)36(21-42-33)13-16-39(3)17-14-36/h4-11,18-20H,12-17,21H2,1-3H3
• InChIKey: GBSAIQXARVBJQY-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.69
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-methyl-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 [3-methyl-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 22115882) is [3-methyl-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 [3-methyl-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 [3-methyl-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)cc4C)cccc23)o1.

What is the InChIKey of [3-methyl-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 GBSAIQXARVBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O3/c1-22-18-25(10-11-26(22)27-6-4-8-29-28(27)7-5-9-30(29)34-38-37-23(2)43-34)35(41)40-15-12-24-19-33-31(20-32(24)40)36(21-42-33)13-16-39(3)17-14-36/h4-11,18-20H,12-17,21H2,1-3H3.

What are the key properties of [3-methyl-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?

[3-methyl-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 570.69 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-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 22115882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).