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

C24H30F2N4O4 — CID 170450311

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

7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 170450311) has the molecular formula C24H30F2N4O4 and a molecular weight of 476.52 g/mol. Its IUPAC name is 7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 170450311
• Molecular Formula: C24H30F2N4O4
• Molecular Weight: 476.52 g/mol
• Exact Mass: 476.22
• IUPAC Name: 7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
• SMILES: CCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)F)NC(=O)c1cc2cccc(F)c2[nH]1
• InChI: InChI=1S/C24H30F2N4O4/c1-4-19(31)16(11-14-8-9-27-21(14)32)29-23(34)18(12-24(2,3)26)30-22(33)17-10-13-6-5-7-15(25)20(13)28-17/h5-7,10,14,16,18,28H,4,8-9,11-12H2,1-3H3,(H,27,32)(H,29,34)(H,30,33)/t14-,16-,18-/m0/s1
• InChIKey: BBOBZQIDLPWTCS-ZVZYQTTQSA-N
• XLogP: 2.53
• TPSA: 120.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.52
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide (CID 170450311) is 7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide.

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

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

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

The InChIKey is BBOBZQIDLPWTCS-ZVZYQTTQSA-N. The full InChI is InChI=1S/C24H30F2N4O4/c1-4-19(31)16(11-14-8-9-27-21(14)32)29-23(34)18(12-24(2,3)26)30-22(33)17-10-13-6-5-7-15(25)20(13)28-17/h5-7,10,14,16,18,28H,4,8-9,11-12H2,1-3H3,(H,27,32)(H,29,34)(H,30,33)/t14-,16-,18-/m0/s1.

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

7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 2.53, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 170450311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).