(S)-6-(1-benzylpiperidin-3-ylamino)-8-(pyridin-2-ylamino)-N-(pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

HCID 59624360
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1ccncc1)c1cnc2c(Nc3ccccn3)cc(N[C@H]3CCCN(Cc4ccccc4)C3)nn12
InChIKey
YGSCFNSGTMHAMH-QHCPKHFHSA-N
Molecular formula
C29H29N9O
Average molar mass
519.6 g/mol
Monoisotopic mass
519.24950658

Names & identifiers

Preferred name
(S)-6-(1-benzylpiperidin-3-ylamino)-8-(pyridin-2-ylamino)-N-(pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
IUPAC
6-[[(3S)-1-benzylpiperidin-3-yl]amino]-N-pyridin-4-yl-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Names & synonyms

SCHEMBL3723467YGSCFNSGTMHAMH-QHCPKHFHSA-N(S)-6-(1-benzylpiperidin-3-ylamino)-8-(pyridin-2-ylamino)-N-(pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

Database identifiers

PubChem CID
59624360

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

Loading…