(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C18H16BrN3O — CID 42947361

IUPAC(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CCCC1c1ccncc1
InChIInChI=1S/C18H16BrN3O/c19-14-3-4-15-13(10-14)11-16(21-15)18(23)22-9-1-2-17(22)12-5-7-20-8-6-12/h3-8,10-11,17,21H,1-2,9H2
InChIKeyRMMYJFLKUZRWCQ-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.30
Rot. Bonds2

About (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 42947361) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID42947361
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CCCC1c1ccncc1
InChIInChI=1S/C18H16BrN3O/c19-14-3-4-15-13(10-14)11-16(21-15)18(23)22-9-1-2-17(22)12-5-7-20-8-6-12/h3-8,10-11,17,21H,1-2,9H2
InChIKeyRMMYJFLKUZRWCQ-UHFFFAOYSA-N
XLogP4.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 178095403
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(5-bromo-1H-indol-2-yl)methanone
CID 56819225
(3S)-1-(5-bromo-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 119113659
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-bromo-1H-indol-2-yl)methanone
CID 49224964
[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 110107752
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60727625
(5-methyl-1H-indol-2-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 126446207
(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470517
(2-pyridin-4-ylazepan-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 55961322

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 42947361) is (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1cc2cc(Br)ccc2[nH]1)N1CCCC1c1ccncc1.
What is the InChIKey of (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is RMMYJFLKUZRWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-14-3-4-15-13(10-14)11-16(21-15)18(23)22-9-1-2-17(22)12-5-7-20-8-6-12/h3-8,10-11,17,21H,1-2,9H2.
What are the key properties of (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 370.25 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 42947361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).