(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide

C21H30FN3O2 — CID 95426875

IUPAC(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide
SMILESCCc1[nH]c2c(CNC(=O)CC[C@H](C)N3CCOCC3)cc(F)cc2c1C
InChIInChI=1S/C21H30FN3O2/c1-4-19-15(3)18-12-17(22)11-16(21(18)24-19)13-23-20(26)6-5-14(2)25-7-9-27-10-8-25/h11-12,14,24H,4-10,13H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyGLKVUZGDWPXUAS-AWEZNQCLSA-N
MW375.49 g/mol
LogP3.29
Rot. Bonds7

About (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide

(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide (PubChem CID 95426875) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide.

Molecular Properties

Compound Name(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide
PubChem CID95426875
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide
SMILESCCc1[nH]c2c(CNC(=O)CC[C@H](C)N3CCOCC3)cc(F)cc2c1C
InChIInChI=1S/C21H30FN3O2/c1-4-19-15(3)18-12-17(22)11-16(21(18)24-19)13-23-20(26)6-5-14(2)25-7-9-27-10-8-25/h11-12,14,24H,4-10,13H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyGLKVUZGDWPXUAS-AWEZNQCLSA-N
XLogP3.29
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 95555062
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 42245388
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56872669
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 56877501
(4R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-morpholin-4-ylpentanamide
CID 124752740
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-methoxypyridine-2-carboxamide
CID 56918169
5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 56874343
(4R)-4-morpholin-4-yl-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 125164955
(4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-morpholin-4-ylpentanamide
CID 124753245
(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 95551283
(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide
CID 125179870
[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 56861740

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide?
The IUPAC name of (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide (CID 95426875) is (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide.
What is the SMILES notation for (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide?
The canonical SMILES for (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide is CCc1[nH]c2c(CNC(=O)CC[C@H](C)N3CCOCC3)cc(F)cc2c1C.
What is the InChIKey of (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide?
The InChIKey is GLKVUZGDWPXUAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-4-19-15(3)18-12-17(22)11-16(21(18)24-19)13-23-20(26)6-5-14(2)25-7-9-27-10-8-25/h11-12,14,24H,4-10,13H2,1-3H3,(H,23,26)/t14-/m0/s1.
What are the key properties of (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide?
(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide has a molecular weight of 375.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide is sourced from PubChem (CID 95426875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).