7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide

C23H28F2N4O5 — CID 170431354

About 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide

7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 170431354) has the molecular formula C23H28F2N4O5 and a molecular weight of 478.50 g/mol. Its IUPAC name is 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 170431354
• Molecular Formula: C23H28F2N4O5
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.20
• IUPAC Name: 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
• SMILES: CC(C)(F)CC(NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)CO
• InChI: InChI=1S/C23H28F2N4O5/c1-23(2,25)10-17(29-21(33)16-8-12-4-3-5-14(24)19(12)27-16)22(34)28-15(18(31)11-30)9-13-6-7-26-20(13)32/h3-5,8,13,15,17,27,30H,6-7,9-11H2,1-2H3,(H,26,32)(H,28,34)(H,29,33)/t13-,15?,17?/m0/s1
• InChIKey: BQWGIXHJRUBBTA-KTAKPFMOSA-N
• XLogP: 1.12
• TPSA: 140.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (CID 170431354) is 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is CC(C)(F)CC(NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)CO.

What is the InChIKey of 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is BQWGIXHJRUBBTA-KTAKPFMOSA-N. The full InChI is InChI=1S/C23H28F2N4O5/c1-23(2,25)10-17(29-21(33)16-8-12-4-3-5-14(24)19(12)27-16)22(34)28-15(18(31)11-30)9-13-6-7-26-20(13)32/h3-5,8,13,15,17,27,30H,6-7,9-11H2,1-2H3,(H,26,32)(H,28,34)(H,29,33)/t13-,15?,17?/m0/s1.

What are the key properties of 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 1.12, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 170431354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).