4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol

C26H37N7O — CID 71278184

IUPAC4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol
SMILESCCc1nc(C)c(-c2cn3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)c3n2)nc1CC
InChIInChI=1S/C26H37N7O/c1-5-19-20(6-2)29-24(17(3)27-19)22-16-33-25(30-22)21(15-23(31-33)32-13-7-8-14-32)28-18-9-11-26(4,34)12-10-18/h15-16,18,28,34H,5-14H2,1-4H3
InChIKeyLGEDNFAQJMZIAL-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.33
Rot. Bonds6

About 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol

4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol (PubChem CID 71278184) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol
PubChem CID71278184
Molecular FormulaC26H37N7O
Molecular Weight463.63 g/mol
Exact Mass463.31
IUPAC Name4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol
SMILESCCc1nc(C)c(-c2cn3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)c3n2)nc1CC
InChIInChI=1S/C26H37N7O/c1-5-19-20(6-2)29-24(17(3)27-19)22-16-33-25(30-22)21(15-23(31-33)32-13-7-8-14-32)28-18-9-11-26(4,34)12-10-18/h15-16,18,28,34H,5-14H2,1-4H3
InChIKeyLGEDNFAQJMZIAL-UHFFFAOYSA-N
XLogP4.33
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
CID 71529509
1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol
CID 71099864
4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride
CID 155519903
4-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3,5,6-trimethylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol
CID 71099853
4-[[2-chloro-5-(5-pyrrolidin-1-yl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572369
N-cyclopentyl-1,3-diethylpyrazol-4-amine
CID 69088847
6-ethyl-5-[(4-hydroxy-4-methylcyclohexyl)amino]-3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 66643155
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
4-[[2-(3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexane-1-carbaldehyde
CID 148702194
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409102
1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 72857573

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol (CID 71278184) is 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol is CCc1nc(C)c(-c2cn3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)c3n2)nc1CC.
What is the InChIKey of 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol?
The InChIKey is LGEDNFAQJMZIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O/c1-5-19-20(6-2)29-24(17(3)27-19)22-16-33-25(30-22)21(15-23(31-33)32-13-7-8-14-32)28-18-9-11-26(4,34)12-10-18/h15-16,18,28,34H,5-14H2,1-4H3.
What are the key properties of 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol?
4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 463.63 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5,6-diethyl-3-methylpyrazin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 71278184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).