5-(5-(3-(morpholinomethyl)-1H-pyrrol-1-yl)-4-(piperidin-3-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile

HCID 59613327

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

Related reactions

3 records

Compound notes

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