7-fluoro-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

C38H35FN4O5 — CID 58768289

About 7-fluoro-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

7-fluoro-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 58768289) has the molecular formula C38H35FN4O5 and a molecular weight of 646.72 g/mol. Its IUPAC name is 7-fluoro-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: 7-fluoro-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: 58768289
• Molecular Formula: C38H35FN4O5
• Molecular Weight: 646.72 g/mol
• Exact Mass: 646.26
• IUPAC Name: 7-fluoro-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)c2ccc(F)cc2o1
• InChI: InChI=1S/C38H35FN4O5/c39-29-13-14-30-33(44)23-35(48-34(30)22-29)37(46)40-31(21-25-11-12-26-6-1-2-7-27(26)20-25)38(47)42-18-16-41(17-19-42)32-9-4-3-8-28(32)24-43-15-5-10-36(43)45/h1-4,6-9,11-14,20,22-23,31H,5,10,15-19,21,24H2,(H,40,46)/t31-/m1/s1
• InChIKey: NHZQLOHOUYAGBH-WJOKGBTCSA-N
• XLogP: 4.90
• TPSA: 103.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	646.72
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-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 7-fluoro-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 58768289) is 7-fluoro-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 7-fluoro-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 7-fluoro-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)c2ccc(F)cc2o1.

What is the InChIKey of 7-fluoro-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 NHZQLOHOUYAGBH-WJOKGBTCSA-N. The full InChI is InChI=1S/C38H35FN4O5/c39-29-13-14-30-33(44)23-35(48-34(30)22-29)37(46)40-31(21-25-11-12-26-6-1-2-7-27(26)20-25)38(47)42-18-16-41(17-19-42)32-9-4-3-8-28(32)24-43-15-5-10-36(43)45/h1-4,6-9,11-14,20,22-23,31H,5,10,15-19,21,24H2,(H,40,46)/t31-/m1/s1.

What are the key properties of 7-fluoro-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?

7-fluoro-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 646.72 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-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 58768289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).