6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile

C17H14FN7O — CID 88868704

IUPAC6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(C#N)cc1Nc1cc(NCCF)c2ncc(C#N)n2n1
InChIInChI=1S/C17H14FN7O/c1-26-15-3-2-11(8-19)6-13(15)23-16-7-14(21-5-4-18)17-22-10-12(9-20)25(17)24-16/h2-3,6-7,10,21H,4-5H2,1H3,(H,23,24)
InChIKeyFUVLOXFNUNZIDX-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.61
Rot. Bonds6

About 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile

6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 88868704) has the molecular formula C17H14FN7O and a molecular weight of 351.35 g/mol. Its IUPAC name is 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID88868704
Molecular FormulaC17H14FN7O
Molecular Weight351.35 g/mol
Exact Mass351.12
IUPAC Name6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(C#N)cc1Nc1cc(NCCF)c2ncc(C#N)n2n1
InChIInChI=1S/C17H14FN7O/c1-26-15-3-2-11(8-19)6-13(15)23-16-7-14(21-5-4-18)17-22-10-12(9-20)25(17)24-16/h2-3,6-7,10,21H,4-5H2,1H3,(H,23,24)
InChIKeyFUVLOXFNUNZIDX-UHFFFAOYSA-N
XLogP2.61
TPSA111.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313948
6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313726
6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313875
8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 70958008
3-(3-aminopropylamino)-4-methoxybenzonitrile
CID 106951112
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-4-methylphenyl]carbamate
CID 59314022
[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-5-methoxyphenyl]cyanamide
CID 59314034
N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-(2-methoxyethylamino)phenyl]-N-methanimidoylmethanimidamide
CID 143973927
6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 45378019
8-(cyclopropylamino)-6-[3-(1,2,4-triazol-1-yl)-4-(trifluoromethoxy)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313981
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]carbamate
CID 59313846
4-[2-(dimethylamino)ethylamino]-3-methoxybenzonitrile
CID 104848661

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (CID 88868704) is 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is COc1ccc(C#N)cc1Nc1cc(NCCF)c2ncc(C#N)n2n1.
What is the InChIKey of 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is FUVLOXFNUNZIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O/c1-26-15-3-2-11(8-19)6-13(15)23-16-7-14(21-5-4-18)17-22-10-12(9-20)25(17)24-16/h2-3,6-7,10,21H,4-5H2,1H3,(H,23,24).
What are the key properties of 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 351.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 88868704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).