Basic information
- Standard SMILES
N#Cc1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(CN4CCOCC4)c3)cn2)cn1- InChIKey
VORWXCSTZOOCFR-UHFFFAOYSA-N- Molecular formula
- C25H31N9O
- Average molar mass
- 473.6 g/mol
Names & identifiers
- Preferred name
- 5-(5-(3-(morpholinomethyl)-1H-pyrrol-1-yl)-4-(piperidin-3-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
- IUPAC
- 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
Names & synonyms
SCHEMBL617299VORWXCSTZOOCFR-UHFFFAOYSA-N5-(5-(3-(morpholinomethyl)-1H-pyrrol-1-yl)-4-(piperidin-3-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
Database identifiers
- PubChem CID
- 59613327
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 696
Related reactions
3 records
Compound notes
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