4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one

C21H22FN3O — CID 18833151

IUPAC4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)N1CCCC1
InChIInChI=1S/C21H22FN3O/c22-15-9-10-18-17(14-15)16(21(24-18)19-7-1-2-11-23-19)6-5-8-20(26)25-12-3-4-13-25/h1-2,7,9-11,14,24H,3-6,8,12-13H2
InChIKeyGIEXXUQRVHBSIQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.31
Rot. Bonds5

About 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one

4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 18833151) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
PubChem CID18833151
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)N1CCCC1
InChIInChI=1S/C21H22FN3O/c22-15-9-10-18-17(14-15)16(21(24-18)19-7-1-2-11-23-19)6-5-8-20(26)25-12-3-4-13-25/h1-2,7,9-11,14,24H,3-6,8,12-13H2
InChIKeyGIEXXUQRVHBSIQ-UHFFFAOYSA-N
XLogP4.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18827484
1-(azepan-1-yl)-4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18832956
1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18833257
1-(2,3-dihydroindol-1-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18833118
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one
CID 18847374
3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate
CID 7745015
1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18827431
N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833140
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18833128
N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833186
(2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate
CID 18833255
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 18847310

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one (CID 18833151) is 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)N1CCCC1.
What is the InChIKey of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is GIEXXUQRVHBSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-15-9-10-18-17(14-15)16(21(24-18)19-7-1-2-11-23-19)6-5-8-20(26)25-12-3-4-13-25/h1-2,7,9-11,14,24H,3-6,8,12-13H2.
What are the key properties of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one?
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 351.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 18833151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).