N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C23H26F3N5O4 — CID 167278841

About N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 167278841) has the molecular formula C23H26F3N5O4 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 167278841
• Molecular Formula: C23H26F3N5O4
• Molecular Weight: 493.49 g/mol
• Exact Mass: 493.19
• IUPAC Name: N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N[C@@H](CCC(F)(F)F)C(=O)N[C@H](C#N)CC[C@@H]3CCNC3=O)cc12
• InChI: InChI=1S/C23H26F3N5O4/c1-35-19-4-2-3-16-15(19)11-18(30-16)22(34)31-17(7-9-23(24,25)26)21(33)29-14(12-27)6-5-13-8-10-28-20(13)32/h2-4,11,13-14,17,30H,5-10H2,1H3,(H,28,32)(H,29,33)(H,31,34)/t13-,14+,17+/m1/s1
• InChIKey: CGMLFFOUIGPERB-KEYYUXOJSA-N
• XLogP: 2.54
• TPSA: 136.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.49
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 167278841) is N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)N[C@@H](CCC(F)(F)F)C(=O)N[C@H](C#N)CC[C@@H]3CCNC3=O)cc12.

What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is CGMLFFOUIGPERB-KEYYUXOJSA-N. The full InChI is InChI=1S/C23H26F3N5O4/c1-35-19-4-2-3-16-15(19)11-18(30-16)22(34)31-17(7-9-23(24,25)26)21(33)29-14(12-27)6-5-13-8-10-28-20(13)32/h2-4,11,13-14,17,30H,5-10H2,1H3,(H,28,32)(H,29,33)(H,31,34)/t13-,14+,17+/m1/s1.

What are the key properties of N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 493.49 g/mol, XLogP of 2.54, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 167278841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).