5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C22H21F2N3O3 — CID 57312076

IUPAC5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCOCC1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C22H21F2N3O3/c23-16-3-1-14(2-4-16)11-20(22(29)27-7-9-30-10-8-27)26-21(28)19-13-15-12-17(24)5-6-18(15)25-19/h1-6,12-13,20,25H,7-11H2,(H,26,28)/t20-/m0/s1
InChIKeyJDKIYFGYBLJSNE-FQEVSTJZSA-N
MW413.42 g/mol
LogP2.65
Rot. Bonds5

About 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 57312076) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID57312076
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC Name5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCOCC1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C22H21F2N3O3/c23-16-3-1-14(2-4-16)11-20(22(29)27-7-9-30-10-8-27)26-21(28)19-13-15-12-17(24)5-6-18(15)25-19/h1-6,12-13,20,25H,7-11H2,(H,26,28)/t20-/m0/s1
InChIKeyJDKIYFGYBLJSNE-FQEVSTJZSA-N
XLogP2.65
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidin-4-yl] acetate
CID 59753732
5-chloro-N-[(2S)-3-(2,4-difluorophenyl)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 162379582
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;molecular hydrogen
CID 158230154
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753529
5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 46555928
5-chloro-N-[(2S)-1-[4-(diacetylamino)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753643
5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-2-carboxamide
CID 46557915
5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753542
methyl (2S)-2-[[5-(2-morpholin-4-ylethoxy)-1H-indole-2-carbonyl]amino]-3-phenylpropanoate
CID 20604417
ethyl 1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 59753750
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753713
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 23540223

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 57312076) is 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCOCC1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is JDKIYFGYBLJSNE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c23-16-3-1-14(2-4-16)11-20(22(29)27-7-9-30-10-8-27)26-21(28)19-13-15-12-17(24)5-6-18(15)25-19/h1-6,12-13,20,25H,7-11H2,(H,26,28)/t20-/m0/s1.
What are the key properties of 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 57312076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).