6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide

C41H38N6O5 — CID 58768151

About 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide

6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 58768151) has the molecular formula C41H38N6O5 and a molecular weight of 694.79 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
• PubChem CID: 58768151
• Molecular Formula: C41H38N6O5
• Molecular Weight: 694.79 g/mol
• Exact Mass: 694.29
• IUPAC Name: 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
• SMILES: O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cc(-n3ccnc3)ccc2o1
• InChI: InChI=1S/C41H38N6O5/c48-36-25-38(52-37-14-13-32(24-33(36)37)47-17-15-42-27-47)40(50)43-34(23-28-11-12-29-6-1-2-7-30(29)22-28)41(51)45-20-18-44(19-21-45)35-9-4-3-8-31(35)26-46-16-5-10-39(46)49/h1-4,6-9,11-15,17,22,24-25,27,34H,5,10,16,18-21,23,26H2,(H,43,50)/t34-/m1/s1
• InChIKey: GHYWPHCLXIJHMD-UUWRZZSWSA-N
• XLogP: 4.94
• TPSA: 120.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	694.79
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide?

The IUPAC name of 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide (CID 58768151) is 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide?

The canonical SMILES for 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide is O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cc(-n3ccnc3)ccc2o1.

What is the InChIKey of 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide?

The InChIKey is GHYWPHCLXIJHMD-UUWRZZSWSA-N. The full InChI is InChI=1S/C41H38N6O5/c48-36-25-38(52-37-14-13-32(24-33(36)37)47-17-15-42-27-47)40(50)43-34(23-28-11-12-29-6-1-2-7-30(29)22-28)41(51)45-20-18-44(19-21-45)35-9-4-3-8-31(35)26-46-16-5-10-39(46)49/h1-4,6-9,11-15,17,22,24-25,27,34H,5,10,16,18-21,23,26H2,(H,43,50)/t34-/m1/s1.

What are the key properties of 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide?

6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 694.79 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-imidazol-1-yl-N-[(2R)-3-naphthalen-2-yl-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58768151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).