(2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C20H23FN4O2 — CID 126721487

About (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 126721487) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
• PubChem CID: 126721487
• Molecular Formula: C20H23FN4O2
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.18
• IUPAC Name: (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
• SMILES: COc1nc(N2CCc3ccccc32)c(F)cc1CNC(=O)[C@@H]1CCCN1
• InChI: InChI=1S/C20H23FN4O2/c1-27-20-14(12-23-19(26)16-6-4-9-22-16)11-15(21)18(24-20)25-10-8-13-5-2-3-7-17(13)25/h2-3,5,7,11,16,22H,4,6,8-10,12H2,1H3,(H,23,26)/t16-/m0/s1
• InChIKey: JUQDDODBDLFHFS-INIZCTEOSA-N
• XLogP: 2.29
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 126721487) is (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is COc1nc(N2CCc3ccccc32)c(F)cc1CNC(=O)[C@@H]1CCCN1.

What is the InChIKey of (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The InChIKey is JUQDDODBDLFHFS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-27-20-14(12-23-19(26)16-6-4-9-22-16)11-15(21)18(24-20)25-10-8-13-5-2-3-7-17(13)25/h2-3,5,7,11,16,22H,4,6,8-10,12H2,1H3,(H,23,26)/t16-/m0/s1.

What are the key properties of (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?

(2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126721487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).