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

C18H15N7O — CID 59313726

IUPAC6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(C#N)cc1Nc1cc(NC2CC2)c2ncc(C#N)n2n1
InChIInChI=1S/C18H15N7O/c1-26-16-5-2-11(8-19)6-14(16)23-17-7-15(22-12-3-4-12)18-21-10-13(9-20)25(18)24-17/h2,5-7,10,12,22H,3-4H2,1H3,(H,23,24)
InChIKeyFBRROVHNJZEBQW-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.80
Rot. Bonds5

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

6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 59313726) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID59313726
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(C#N)cc1Nc1cc(NC2CC2)c2ncc(C#N)n2n1
InChIInChI=1S/C18H15N7O/c1-26-16-5-2-11(8-19)6-14(16)23-17-7-15(22-12-3-4-12)18-21-10-13(9-20)25(18)24-17/h2,5-7,10,12,22H,3-4H2,1H3,(H,23,24)
InChIKeyFBRROVHNJZEBQW-UHFFFAOYSA-N
XLogP2.80
TPSA111.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.80
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

6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313875
8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313948
6-(5-cyano-2-methoxyanilino)-8-(2-fluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 88868704
[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-5-methoxyphenyl]cyanamide
CID 59314034
6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 45378019
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-4-methylphenyl]carbamate
CID 59314022
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]carbamate
CID 59313846
methyl N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2,4-difluorophenyl]carbamate
CID 59313830
2-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-5-carbonitrile
CID 59314051
N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]acetamide
CID 59313974
N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
CID 59313977
8-(cyclopropylamino)-6-[3-(1,2,4-triazol-1-yl)-4-(trifluoromethoxy)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313981

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (CID 59313726) is 6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is COc1ccc(C#N)cc1Nc1cc(NC2CC2)c2ncc(C#N)n2n1.
What is the InChIKey of 6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is FBRROVHNJZEBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-26-16-5-2-11(8-19)6-14(16)23-17-7-15(22-12-3-4-12)18-21-10-13(9-20)25(18)24-17/h2,5-7,10,12,22H,3-4H2,1H3,(H,23,24).
What are the key properties of 6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 345.37 g/mol, XLogP of 2.80, 5 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-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 59313726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).