(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

C20H20FN3O — CID 110103570

IUPAC(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2[nH]1)N1CCCC1CCc1ccncc1
InChIInChI=1S/C20H20FN3O/c21-16-5-4-15-12-19(23-18(15)13-16)20(25)24-11-1-2-17(24)6-3-14-7-9-22-10-8-14/h4-5,7-10,12-13,17,23H,1-3,6,11H2
InChIKeySDLGWTIBYLRBTO-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.94
Rot. Bonds4

About (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (PubChem CID 110103570) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
PubChem CID110103570
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2[nH]1)N1CCCC1CCc1ccncc1
InChIInChI=1S/C20H20FN3O/c21-16-5-4-15-12-19(23-18(15)13-16)20(25)24-11-1-2-17(24)6-3-14-7-9-22-10-8-14/h4-5,7-10,12-13,17,23H,1-3,6,11H2
InChIKeySDLGWTIBYLRBTO-UHFFFAOYSA-N
XLogP3.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698506
2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
(6-fluoro-1H-indol-2-yl)-[2-[[4-(2-fluoro-4-pyridinyl)triazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 167793458
[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 70780089
2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103555
[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124969741
[2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 77421286
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
(6-methoxy-1H-indol-2-yl)-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone
CID 155882027
(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994004
1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110148888

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (CID 110103570) is (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is O=C(c1cc2ccc(F)cc2[nH]1)N1CCCC1CCc1ccncc1.
What is the InChIKey of (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SDLGWTIBYLRBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-16-5-4-15-12-19(23-18(15)13-16)20(25)24-11-1-2-17(24)6-3-14-7-9-22-10-8-14/h4-5,7-10,12-13,17,23H,1-3,6,11H2.
What are the key properties of (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 337.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110103570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).