5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C18H19BrN4O — CID 58318976

IUPAC5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)Nc1ncc(Br)cc12
InChIInChI=1S/C18H19BrN4O/c1-12-3-2-6-20-15(12)11-23-7-4-18(5-8-23)14-9-13(19)10-21-16(14)22-17(18)24/h2-3,6,9-10H,4-5,7-8,11H2,1H3,(H,21,22,24)
InChIKeyWOVPATIJVGZFRT-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.03
Rot. Bonds2

About 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 58318976) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID58318976
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)Nc1ncc(Br)cc12
InChIInChI=1S/C18H19BrN4O/c1-12-3-2-6-20-15(12)11-23-7-4-18(5-8-23)14-9-13(19)10-21-16(14)22-17(18)24/h2-3,6,9-10H,4-5,7-8,11H2,1H3,(H,21,22,24)
InChIKeyWOVPATIJVGZFRT-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 58318976) is 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is Cc1cccnc1CN1CCC2(CC1)C(=O)Nc1ncc(Br)cc12.
What is the InChIKey of 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is WOVPATIJVGZFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-12-3-2-6-20-15(12)11-23-7-4-18(5-8-23)14-9-13(19)10-21-16(14)22-17(18)24/h2-3,6,9-10H,4-5,7-8,11H2,1H3,(H,21,22,24).
What are the key properties of 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 387.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1'-[(3-methyl-2-pyridinyl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 58318976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).