5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane

C25H34F2N4O5 — CID 170611241

About 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane

5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane (PubChem CID 170611241) has the molecular formula C25H34F2N4O5 and a molecular weight of 508.57 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane.

Molecular Properties

• Compound Name: 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane
• PubChem CID: 170611241
• Molecular Formula: C25H34F2N4O5
• Molecular Weight: 508.57 g/mol
• Exact Mass: 508.25
• IUPAC Name: 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane
• SMILES: CC(C)(C)C.O=C(CNC(=O)c1cc2cc(F)cc(F)c2[nH]1)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)CO
• InChI: InChI=1S/C20H22F2N4O5.C5H12/c21-12-4-11-6-15(26-18(11)13(22)7-12)20(31)24-8-17(29)25-14(16(28)9-27)5-10-2-1-3-23-19(10)30;1-5(2,3)4/h4,6-7,10,14,26-27H,1-3,5,8-9H2,(H,23,30)(H,24,31)(H,25,29);1-4H3/t10-,14-;/m0./s1
• InChIKey: ZIIILUJBFUSQGZ-LPJGFKLNSA-N
• XLogP: 2.19
• TPSA: 140.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.57
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane?

The IUPAC name of 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane (CID 170611241) is 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane.

What is the SMILES notation for 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane?

The canonical SMILES for 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane is CC(C)(C)C.O=C(CNC(=O)c1cc2cc(F)cc(F)c2[nH]1)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)CO.

What is the InChIKey of 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane?

The InChIKey is ZIIILUJBFUSQGZ-LPJGFKLNSA-N. The full InChI is InChI=1S/C20H22F2N4O5.C5H12/c21-12-4-11-6-15(26-18(11)13(22)7-12)20(31)24-8-17(29)25-14(16(28)9-27)5-10-2-1-3-23-19(10)30;1-5(2,3)4/h4,6-7,10,14,26-27H,1-3,5,8-9H2,(H,23,30)(H,24,31)(H,25,29);1-4H3/t10-,14-;/m0./s1.

What are the key properties of 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane?

5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane has a molecular weight of 508.57 g/mol, XLogP of 2.19, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane is sourced from PubChem (CID 170611241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).