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

HCID 59613382
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Basic information

Standard SMILES
N#Cc1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(CO)c3)cn2)cn1
InChIKey
ZFVVXSOSXKGWAI-UHFFFAOYSA-N
Molecular formula
C21H24N8O
Average molar mass
404.5 g/mol

Names & identifiers

Preferred name
5-(5-(3-(hydroxymethyl)-1H-pyrrol-1-yl)-4-(piperidin-3-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
IUPAC
5-[[5-[3-(hydroxymethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

Names & synonyms

SCHEMBL618329ZFVVXSOSXKGWAI-UHFFFAOYSA-N5-(5-(3-(hydroxymethyl)-1H-pyrrol-1-yl)-4-(piperidin-3-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile

Database identifiers

PubChem CID
59613382

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
124 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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