5-(N-[benzoyl]amino)-3-(1-(2-phenyleth-1-yl)-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine

HCID 19601616
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Basic information

Standard SMILES
O=C(Nc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2n1)c1ccccc1
InChIKey
BABRHIYZKQLHTE-UHFFFAOYSA-N
Molecular formula
C27H26N4O
Average molar mass
422.5 g/mol
Monoisotopic mass
422.21066147

Names & identifiers

Preferred name
5-(N-[benzoyl]amino)-3-(1-(2-phenyleth-1-yl)-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine
IUPAC
N-[3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide

Names & synonyms

SCHEMBL7004667BABRHIYZKQLHTE-UHFFFAOYSA-N5-(N-[benzoyl]amino)-3-(1-(2-phenyleth-1-yl)-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine

Database identifiers

PubChem CID
19601616

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
61 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
32

Related reactions

4 records
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Compound notes

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