1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol

C23H26FN7O — CID 71529509

IUPAC1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
SMILESCc1nc2ccc(F)cc2nc1-c1cn2nc(N3CCCC3)cc(NCC(C)(C)O)c2n1
InChIInChI=1S/C23H26FN7O/c1-14-21(27-17-10-15(24)6-7-16(17)26-14)19-12-31-22(28-19)18(25-13-23(2,3)32)11-20(29-31)30-8-4-5-9-30/h6-7,10-12,25,32H,4-5,8-9,13H2,1-3H3
InChIKeyIMTKFPKUUCOQTH-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.57
Rot. Bonds5

About 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol

1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol (PubChem CID 71529509) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
PubChem CID71529509
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
SMILESCc1nc2ccc(F)cc2nc1-c1cn2nc(N3CCCC3)cc(NCC(C)(C)O)c2n1
InChIInChI=1S/C23H26FN7O/c1-14-21(27-17-10-15(24)6-7-16(17)26-14)19-12-31-22(28-19)18(25-13-23(2,3)32)11-20(29-31)30-8-4-5-9-30/h6-7,10-12,25,32H,4-5,8-9,13H2,1-3H3
InChIKeyIMTKFPKUUCOQTH-UHFFFAOYSA-N
XLogP3.57
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol with MolForge

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Related Compounds

1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 155523796
1-[[7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-2-methylpropan-2-ol
CID 71278167
2-methyl-1-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
CID 53374764
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905
6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891902
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
CID 70664630
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
5-fluorocyclobuta[b]quinoxaline-1,2-diol
CID 135502848
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729
6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 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) is 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol is Cc1nc2ccc(F)cc2nc1-c1cn2nc(N3CCCC3)cc(NCC(C)(C)O)c2n1.
What is the InChIKey of 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
The InChIKey is IMTKFPKUUCOQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-14-21(27-17-10-15(24)6-7-16(17)26-14)19-12-31-22(28-19)18(25-13-23(2,3)32)11-20(29-31)30-8-4-5-9-30/h6-7,10-12,25,32H,4-5,8-9,13H2,1-3H3.
What are the key properties of 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol has a molecular weight of 435.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 71529509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).