8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile

C26H26BrN7O2 — CID 162390683

IUPAC8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(CN(c2cccc(Br)n2)c2cc(NC3CCCCC3O)nn3c(C#N)cnc23)cc1
InChIInChI=1S/C26H26BrN7O2/c1-36-19-11-9-17(10-12-19)16-33(25-8-4-7-23(27)31-25)21-13-24(30-20-5-2-3-6-22(20)35)32-34-18(14-28)15-29-26(21)34/h4,7-13,15,20,22,35H,2-3,5-6,16H2,1H3,(H,30,32)
InChIKeyXQNRXQMZDBPLHY-UHFFFAOYSA-N
MW548.45 g/mol
LogP4.82
Rot. Bonds7

About 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile

8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 162390683) has the molecular formula C26H26BrN7O2 and a molecular weight of 548.45 g/mol. Its IUPAC name is 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID162390683
Molecular FormulaC26H26BrN7O2
Molecular Weight548.45 g/mol
Exact Mass547.13
IUPAC Name8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCOc1ccc(CN(c2cccc(Br)n2)c2cc(NC3CCCCC3O)nn3c(C#N)cnc23)cc1
InChIInChI=1S/C26H26BrN7O2/c1-36-19-11-9-17(10-12-19)16-33(25-8-4-7-23(27)31-25)21-13-24(30-20-5-2-3-6-22(20)35)32-34-18(14-28)15-29-26(21)34/h4,7-13,15,20,22,35H,2-3,5-6,16H2,1H3,(H,30,32)
InChIKeyXQNRXQMZDBPLHY-UHFFFAOYSA-N
XLogP4.82
TPSA111.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-6-[4-(diethylamino)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59314055
N-[6-[[3-cyano-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazin-8-yl]amino]-2-pyridinyl]-2,2-dimethylpropanamide
CID 162390659
2-amino-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 141386326
8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile
CID 70959519
4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 131743274
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 66326095
2-(2-chloro-5-cyano-3-piperidin-1-ylanilino)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 147093343
2-[3-(azetidin-3-yl)-2-chloro-5-cyanoanilino]-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 86708598
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]carbamate
CID 59313846
[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-5-methoxyphenyl]cyanamide
CID 59314034
8-[[6-(2,2-difluoroethoxy)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]amino]-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 162390674
methyl N-[(3R,4R)-1-[2-chloro-5-cyano-3-[[7-cyano-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-3-hydroxypiperidin-4-yl]carbamate
CID 131732389

Frequently Asked Questions

What is the IUPAC name of 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 162390683) is 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile is COc1ccc(CN(c2cccc(Br)n2)c2cc(NC3CCCCC3O)nn3c(C#N)cnc23)cc1.
What is the InChIKey of 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is XQNRXQMZDBPLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN7O2/c1-36-19-11-9-17(10-12-19)16-33(25-8-4-7-23(27)31-25)21-13-24(30-20-5-2-3-6-22(20)35)32-34-18(14-28)15-29-26(21)34/h4,7-13,15,20,22,35H,2-3,5-6,16H2,1H3,(H,30,32).
What are the key properties of 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile?
8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 548.45 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-bromo-2-pyridinyl)-[(4-methoxyphenyl)methyl]amino]-6-[(2-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 162390683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).