4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol

C37H36F6N8O4 — CID 144515432

IUPAC4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.OC1CC[C@@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C1
InChIInChI=1S/C19H19F3N4O2.C18H17F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-18-9-8-17(25-26(16)18)24-13-4-6-14(27)7-5-13;19-18(20,21)27-14-3-1-2-11(8-14)15-10-22-17-7-6-16(24-25(15)17)23-12-4-5-13(26)9-12/h1-3,8-11,13-14,27H,4-7H2,(H,24,25);1-3,6-8,10,12-13,26H,4-5,9H2,(H,23,24)/t;12-,13?/m.1/s1
InChIKeyLBNHSILAXGFVFM-WPHYJRNCSA-N
MW770.74 g/mol
LogP7.63
Rot. Bonds8

About 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol

4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol (PubChem CID 144515432) has the molecular formula C37H36F6N8O4 and a molecular weight of 770.74 g/mol. Its IUPAC name is 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol
PubChem CID144515432
Molecular FormulaC37H36F6N8O4
Molecular Weight770.74 g/mol
Exact Mass770.28
IUPAC Name4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol
SMILESOC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.OC1CC[C@@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C1
InChIInChI=1S/C19H19F3N4O2.C18H17F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-18-9-8-17(25-26(16)18)24-13-4-6-14(27)7-5-13;19-18(20,21)27-14-3-1-2-11(8-14)15-10-22-17-7-6-16(24-25(15)17)23-12-4-5-13(26)9-12/h1-3,8-11,13-14,27H,4-7H2,(H,24,25);1-3,6-8,10,12-13,26H,4-5,9H2,(H,23,24)/t;12-,13?/m.1/s1
InChIKeyLBNHSILAXGFVFM-WPHYJRNCSA-N
XLogP7.63
TPSA143.36 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500770.74
LogP ≤ 57.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Lmtk3-IN-1
CID 138454301
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 6419809
N-((1-ethylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25025645
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 44530413
4-[[3-(6-Methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 44530416
N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57391268
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57399976
SGI-1776 sulfate
CID 57402077
N-(piperidin-4-ylmethyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 57403491
N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57399974
4-((3-(3-(Trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexanol
CID 24996072

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol?
The IUPAC name of 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol (CID 144515432) is 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol?
The canonical SMILES for 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol is OC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.OC1CC[C@@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C1.
What is the InChIKey of 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol?
The InChIKey is LBNHSILAXGFVFM-WPHYJRNCSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C18H17F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-18-9-8-17(25-26(16)18)24-13-4-6-14(27)7-5-13;19-18(20,21)27-14-3-1-2-11(8-14)15-10-22-17-7-6-16(24-25(15)17)23-12-4-5-13(26)9-12/h1-3,8-11,13-14,27H,4-7H2,(H,24,25);1-3,6-8,10,12-13,26H,4-5,9H2,(H,23,24)/t;12-,13?/m.1/s1.
What are the key properties of 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol?
4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol has a molecular weight of 770.74 g/mol, XLogP of 7.63, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;(3R)-3-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 144515432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).