methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C43H58N8O7 — CID 68686959

About methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 68686959) has the molecular formula C43H58N8O7 and a molecular weight of 798.99 g/mol. Its IUPAC name is methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 68686959
• Molecular Formula: C43H58N8O7
• Molecular Weight: 798.99 g/mol
• Exact Mass: 798.44
• IUPAC Name: methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: COC(=O)NC(C(=O)NN(Cc1ccc(OC)cc1)CC(O)C(Cc1ccccc1)NC(=O)C(N1CCN(Cc2ncc3ccccn23)C1=O)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C43H58N8O7/c1-42(2,3)36(46-40(55)58-8)38(53)47-49(26-30-17-19-32(57-7)20-18-30)27-34(52)33(24-29-14-10-9-11-15-29)45-39(54)37(43(4,5)6)51-23-22-48(41(51)56)28-35-44-25-31-16-12-13-21-50(31)35/h9-21,25,33-34,36-37,52H,22-24,26-28H2,1-8H3,(H,45,54)(H,46,55)(H,47,53)
• InChIKey: NMZRITRQCOVLIO-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 170.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	798.99
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 68686959) is methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)NN(Cc1ccc(OC)cc1)CC(O)C(Cc1ccccc1)NC(=O)C(N1CCN(Cc2ncc3ccccn23)C1=O)C(C)(C)C)C(C)(C)C.

What is the InChIKey of methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is NMZRITRQCOVLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58N8O7/c1-42(2,3)36(46-40(55)58-8)38(53)47-49(26-30-17-19-32(57-7)20-18-30)27-34(52)33(24-29-14-10-9-11-15-29)45-39(54)37(43(4,5)6)51-23-22-48(41(51)56)28-35-44-25-31-16-12-13-21-50(31)35/h9-21,25,33-34,36-37,52H,22-24,26-28H2,1-8H3,(H,45,54)(H,46,55)(H,47,53).

What are the key properties of methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 798.99 g/mol, XLogP of 4.39, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[2-hydroxy-3-[[2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 68686959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).