6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol

C32H26Cl2F2N10O — CID 131731818

IUPAC6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol
SMILESCC(c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.Cn1ncc2cc(C(C)(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C16H13ClFN5O.C16H13ClFN5/c1-16(24,13-8-19-15-4-3-14(17)21-23(13)15)10-5-9-7-20-22(2)12(9)6-11(10)18;1-9(14-8-19-16-4-3-15(17)21-23(14)16)11-5-10-7-20-22(2)13(10)6-12(11)18/h3-8,24H,1-2H3;3-9H,1-2H3
InChIKeyKMSYKRMYBKMXBQ-UHFFFAOYSA-N
MW675.53 g/mol
LogP6.22
Rot. Bonds4

About 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol

6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol (PubChem CID 131731818) has the molecular formula C32H26Cl2F2N10O and a molecular weight of 675.53 g/mol. Its IUPAC name is 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol.

Molecular Properties

Compound Name6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol
PubChem CID131731818
Molecular FormulaC32H26Cl2F2N10O
Molecular Weight675.53 g/mol
Exact Mass674.16
IUPAC Name6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol
SMILESCC(c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.Cn1ncc2cc(C(C)(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C16H13ClFN5O.C16H13ClFN5/c1-16(24,13-8-19-15-4-3-14(17)21-23(13)15)10-5-9-7-20-22(2)12(9)6-11(10)18;1-9(14-8-19-16-4-3-15(17)21-23(14)16)11-5-10-7-20-22(2)13(10)6-12(11)18/h3-8,24H,1-2H3;3-9H,1-2H3
InChIKeyKMSYKRMYBKMXBQ-UHFFFAOYSA-N
XLogP6.22
TPSA116.25 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500675.53
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol with MolForge

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Related Compounds

1-(6-Phenylimidazo[1,2-b]pyridazin-3-yl)-1-(quinolin-6-yl)ethanol
CID 57691055
racemic (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-(methoxy(methyl)amino)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221073
racemic (3-(4-(1H-pyrazol-1-yl)benzyl)-2-(azetidin-1-yl)-4-chloroquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221074
[4-Chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 74221201
(3-(4-(1H-Pyrazol-1-yl)benzyl)-2,4-dichloroquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74221327
[4-Chloro-2-[ethyl(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 74221393
(3-(4-(1H-Pyrazol-1-yl)benzyl)-2,4-dichloroquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221463
[2,4-Dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[4-(dimethylamino)phenyl]-(3-methylimidazol-4-yl)methanol
CID 74221527
(3-(4-(1H-Pyrazol-1-yl)benzyl)-2,4-dichloro-8-methylquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74221529
[2,4-Dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol
CID 74221531
(1R)-1-(2-chloro-4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032944
(1S)-1-(2-chloro-4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032946

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol?
The IUPAC name of 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol (CID 131731818) is 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol.
What is the SMILES notation for 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol?
The canonical SMILES for 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol is CC(c1cc2cnn(C)c2cc1F)c1cnc2ccc(Cl)nn12.Cn1ncc2cc(C(C)(O)c3cnc4ccc(Cl)nn34)c(F)cc21.
What is the InChIKey of 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol?
The InChIKey is KMSYKRMYBKMXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O.C16H13ClFN5/c1-16(24,13-8-19-15-4-3-14(17)21-23(13)15)10-5-9-7-20-22(2)12(9)6-11(10)18;1-9(14-8-19-16-4-3-15(17)21-23(14)16)11-5-10-7-20-22(2)13(10)6-12(11)18/h3-8,24H,1-2H3;3-9H,1-2H3.
What are the key properties of 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol?
6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol has a molecular weight of 675.53 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(6-fluoro-1-methylindazol-5-yl)ethanol is sourced from PubChem (CID 131731818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).