methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate

C55H68N8O7 — CID 145019515

About methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate

methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate (PubChem CID 145019515) has the molecular formula C55H68N8O7 and a molecular weight of 953.20 g/mol. Its IUPAC name is methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate.

Molecular Properties

• Compound Name: methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
• PubChem CID: 145019515
• Molecular Formula: C55H68N8O7
• Molecular Weight: 953.20 g/mol
• Exact Mass: 952.52
• IUPAC Name: methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
• SMILES: COC(=O)NC(C(=O)N1CCCC1)C(C)C.COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5nc[nH]c(=O)c5c4)c4c3CC3(CCCC3)C4)c3c2CCC3)[nH]1)C(C)C
• InChI: InChI=1S/C44H48N6O4.C11H20N2O3/c1-25(2)39(49-43(53)54-3)42(52)50-19-7-10-38(50)40-45-23-37(48-40)32-15-14-30(28-8-6-9-29(28)32)31-13-12-27(34-21-44(22-35(31)34)17-4-5-18-44)26-11-16-36-33(20-26)41(51)47-24-46-36;1-8(2)9(12-11(15)16-3)10(14)13-6-4-5-7-13/h11-16,20,23-25,38-39H,4-10,17-19,21-22H2,1-3H3,(H,45,48)(H,49,53)(H,46,47,51);8-9H,4-7H2,1-3H3,(H,12,15)/t38-,39?;/m0./s1
• InChIKey: YDWZSQBHLAIXIM-CYUXUBSPSA-N
• XLogP: 8.83
• TPSA: 191.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.20
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?

The IUPAC name of methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate (CID 145019515) is methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate.

What is the SMILES notation for methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?

The canonical SMILES for methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate is COC(=O)NC(C(=O)N1CCCC1)C(C)C.COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5nc[nH]c(=O)c5c4)c4c3CC3(CCCC3)C4)c3c2CCC3)[nH]1)C(C)C.

What is the InChIKey of methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?

The InChIKey is YDWZSQBHLAIXIM-CYUXUBSPSA-N. The full InChI is InChI=1S/C44H48N6O4.C11H20N2O3/c1-25(2)39(49-43(53)54-3)42(52)50-19-7-10-38(50)40-45-23-37(48-40)32-15-14-30(28-8-6-9-29(28)32)31-13-12-27(34-21-44(22-35(31)34)17-4-5-18-44)26-11-16-36-33(20-26)41(51)47-24-46-36;1-8(2)9(12-11(15)16-3)10(14)13-6-4-5-7-13/h11-16,20,23-25,38-39H,4-10,17-19,21-22H2,1-3H3,(H,45,48)(H,49,53)(H,46,47,51);8-9H,4-7H2,1-3H3,(H,12,15)/t38-,39?;/m0./s1.

What are the key properties of methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?

methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate has a molecular weight of 953.20 g/mol, XLogP of 8.83, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[7-[7-(4-oxo-3H-quinazolin-6-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate is sourced from PubChem (CID 145019515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).