2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone

C31H32FN3O2 — CID 141146536

IUPAC2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1c(-c2ccc(-c3cccnc3F)cc2)c(C2CCCCC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C31H32FN3O2/c32-31-25(10-6-16-33-31)22-12-14-24(15-13-22)30-29(23-7-2-1-3-8-23)26-9-4-5-11-27(26)35(30)21-28(36)34-17-19-37-20-18-34/h4-6,9-16,23H,1-3,7-8,17-21H2
InChIKeyKLLVGWBUDYKHBB-UHFFFAOYSA-N
MW497.61 g/mol
LogP6.42
Rot. Bonds5

About 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone

2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 141146536) has the molecular formula C31H32FN3O2 and a molecular weight of 497.61 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID141146536
Molecular FormulaC31H32FN3O2
Molecular Weight497.61 g/mol
Exact Mass497.25
IUPAC Name2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1c(-c2ccc(-c3cccnc3F)cc2)c(C2CCCCC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C31H32FN3O2/c32-31-25(10-6-16-33-31)22-12-14-24(15-13-22)30-29(23-7-2-1-3-8-23)26-9-4-5-11-27(26)35(30)21-28(36)34-17-19-37-20-18-34/h4-6,9-16,23H,1-3,7-8,17-21H2
InChIKeyKLLVGWBUDYKHBB-UHFFFAOYSA-N
XLogP6.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.61
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146487
3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 160536635
N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
CID 58923431
2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146520
3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
CID 11455732
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid
CID 10026886
2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146478
2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 69075774
2-[2-(3-aminophenyl)quinolin-6-yl]-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 58710351
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-thiophen-2-ylquinolin-6-yl)indole-6-carboxylic acid
CID 11556067
3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 10075164
[6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate
CID 69365422

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone (CID 141146536) is 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1c(-c2ccc(-c3cccnc3F)cc2)c(C2CCCCC2)c2ccccc21)N1CCOCC1.
What is the InChIKey of 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is KLLVGWBUDYKHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN3O2/c32-31-25(10-6-16-33-31)22-12-14-24(15-13-22)30-29(23-7-2-1-3-8-23)26-9-4-5-11-27(26)35(30)21-28(36)34-17-19-37-20-18-34/h4-6,9-16,23H,1-3,7-8,17-21H2.
What are the key properties of 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone?
2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 497.61 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 141146536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).