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

C22H29FN4O4 — CID 166157014

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

4-fluoro-N-[(2S)-1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 166157014) has the molecular formula C22H29FN4O4 and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[(2S)-1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 166157014
• Molecular Formula: C22H29FN4O4
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.22
• IUPAC Name: 4-fluoro-N-[(2S)-1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NC(CO)CC1CCNC1=O
• InChI: InChI=1S/C22H29FN4O4/c1-12(2)8-18(21(30)25-14(11-28)9-13-6-7-24-20(13)29)27-22(31)19-10-15-16(23)4-3-5-17(15)26-19/h3-5,10,12-14,18,26,28H,6-9,11H2,1-2H3,(H,24,29)(H,25,30)(H,27,31)/t13?,14?,18-/m0/s1
• InChIKey: NTRGTBPKZUWQDQ-JRSKDTKFSA-N
• XLogP: 1.45
• TPSA: 123.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[(2S)-1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (CID 166157014) is 4-fluoro-N-[(2S)-1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

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

The canonical SMILES for 4-fluoro-N-[(2S)-1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NC(CO)CC1CCNC1=O.

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

The InChIKey is NTRGTBPKZUWQDQ-JRSKDTKFSA-N. The full InChI is InChI=1S/C22H29FN4O4/c1-12(2)8-18(21(30)25-14(11-28)9-13-6-7-24-20(13)29)27-22(31)19-10-15-16(23)4-3-5-17(15)26-19/h3-5,10,12-14,18,26,28H,6-9,11H2,1-2H3,(H,24,29)(H,25,30)(H,27,31)/t13?,14?,18-/m0/s1.

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

4-fluoro-N-[(2S)-1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 1.45, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(2S)-1-[[1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166157014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).