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

C22H25F3N4O5 — CID 170431183

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

N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide (PubChem CID 170431183) has the molecular formula C22H25F3N4O5 and a molecular weight of 482.46 g/mol. Its IUPAC name is N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide
• PubChem CID: 170431183
• Molecular Formula: C22H25F3N4O5
• Molecular Weight: 482.46 g/mol
• Exact Mass: 482.18
• IUPAC Name: N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide
• SMILES: CC(F)(F)C[C@H](NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
• InChI: InChI=1S/C22H25F3N4O5/c1-22(24,25)9-16(29-20(33)15-7-11-3-2-4-13(23)18(11)27-15)21(34)28-14(17(31)10-30)8-12-5-6-26-19(12)32/h2-4,7,12,14,16,27,30H,5-6,8-10H2,1H3,(H,26,32)(H,28,34)(H,29,33)/t12-,14-,16-/m0/s1
• InChIKey: ZNZYLFUXELZWHA-NOLJZWGESA-N
• XLogP: 1.02
• 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	482.46
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide (CID 170431183) is N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide.

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

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

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

The InChIKey is ZNZYLFUXELZWHA-NOLJZWGESA-N. The full InChI is InChI=1S/C22H25F3N4O5/c1-22(24,25)9-16(29-20(33)15-7-11-3-2-4-13(23)18(11)27-15)21(34)28-14(17(31)10-30)8-12-5-6-26-19(12)32/h2-4,7,12,14,16,27,30H,5-6,8-10H2,1H3,(H,26,32)(H,28,34)(H,29,33)/t12-,14-,16-/m0/s1.

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

N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide has a molecular weight of 482.46 g/mol, XLogP of 1.02, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 170431183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).