Basic information
- Standard SMILES
O=C(Nc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2n1)c1ccsc1- InChIKey
SMLHOCXPHNVZQC-UHFFFAOYSA-N- Molecular formula
- C25H24N4OS
- Average molar mass
- 428.6 g/mol
Names & identifiers
- Preferred name
- 5-(N-[3-thiophenecarbonyl]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]thiophene-3-carboxamide
Names & synonyms
SCHEMBL7009440SMLHOCXPHNVZQC-UHFFFAOYSA-N5-(N-[3 -thiophenecarbonyl]amino)-3-(1-(2-phenyleth-1yl)-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine5-(N-[3-thiophenecarbonyl]amino)-3-(1-(2-phenyleth-1-yl)-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine
Database identifiers
- PubChem CID
- 19601643
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 649
Related reactions
4 records
Compound notes
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