Basic information
- Standard SMILES
OC1CCN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1- InChIKey
HZNBZEKLTOCERM-UHFFFAOYSA-N- Molecular formula
- C25H29N7O
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- 1-((6-((9-cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-pyridinyl)methyl)-4-piperidinol
- IUPAC
- 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperidin-4-ol
Names & synonyms
SCHEMBL1976157CHEMBL3702117HZNBZEKLTOCERM-UHFFFAOYSA-NBDBM132466US8841312, 2151-((6-((9-cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-pyridinyl)methyl)-4-piperidinol
Database identifiers
- PubChem CID
- 58299653
- ChEMBL
CHEMBL3702117
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 638
Related reactions
2 records
Compound notes
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