6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one

C29H30N4O2 — CID 123941977

About 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one

6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one (PubChem CID 123941977) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one.

Molecular Properties

• Compound Name: 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
• PubChem CID: 123941977
• Molecular Formula: C29H30N4O2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.24
• IUPAC Name: 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
• SMILES: Cc1cc(C2=NC3(CC3)C(=O)N2CC2CCN(C(=O)C3CC3)C2)ccc1-c1ccc2cc[nH]c2c1
• InChI: InChI=1S/C29H30N4O2/c1-18-14-23(6-7-24(18)22-5-2-20-8-12-30-25(20)15-22)26-31-29(10-11-29)28(35)33(26)17-19-9-13-32(16-19)27(34)21-3-4-21/h2,5-8,12,14-15,19,21,30H,3-4,9-11,13,16-17H2,1H3
• InChIKey: LVQJVASHIPFVAN-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 68.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?

The IUPAC name of 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one (CID 123941977) is 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one.

What is the SMILES notation for 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?

The canonical SMILES for 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one is Cc1cc(C2=NC3(CC3)C(=O)N2CC2CCN(C(=O)C3CC3)C2)ccc1-c1ccc2cc[nH]c2c1.

What is the InChIKey of 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?

The InChIKey is LVQJVASHIPFVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-18-14-23(6-7-24(18)22-5-2-20-8-12-30-25(20)15-22)26-31-29(10-11-29)28(35)33(26)17-19-9-13-32(16-19)27(34)21-3-4-21/h2,5-8,12,14-15,19,21,30H,3-4,9-11,13,16-17H2,1H3.

What are the key properties of 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?

6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one has a molecular weight of 466.59 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 123941977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).