(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

C18H16BrN3O — CID 178095403

IUPAC(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccc(Br)cc2[nH]1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C18H16BrN3O/c19-13-7-6-12-10-16(21-15(12)11-13)18(23)22-9-3-5-17(22)14-4-1-2-8-20-14/h1-2,4,6-8,10-11,17,21H,3,5,9H2/t17-/m1/s1
InChIKeyXPFHHQFKKYOWTM-QGZVFWFLSA-N
MW370.25 g/mol
LogP4.30
Rot. Bonds2

About (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 178095403) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
PubChem CID178095403
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccc(Br)cc2[nH]1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C18H16BrN3O/c19-13-7-6-12-10-16(21-15(12)11-13)18(23)22-9-3-5-17(22)14-4-1-2-8-20-14/h1-2,4,6-8,10-11,17,21H,3,5,9H2/t17-/m1/s1
InChIKeyXPFHHQFKKYOWTM-QGZVFWFLSA-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

6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42947361
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(6-ethoxy-1H-indol-2-yl)methanone
CID 55822510
[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 110107752
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95868392
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629
(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873523

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (CID 178095403) is (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is O=C(c1cc2ccc(Br)cc2[nH]1)N1CCC[C@@H]1c1ccccn1.
What is the InChIKey of (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is XPFHHQFKKYOWTM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-13-7-6-12-10-16(21-15(12)11-13)18(23)22-9-3-5-17(22)14-4-1-2-8-20-14/h1-2,4,6-8,10-11,17,21H,3,5,9H2/t17-/m1/s1.
What are the key properties of (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-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 (6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 178095403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).