[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline

C109H79ClF2N24O — CID 157173701

IUPAC[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
SMILESC[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.F[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.F[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.OCc1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1Cl
InChIInChI=1S/C23H17ClN4O.2C22H17N5.2C21H14FN5/c24-20-12-17(4-5-18(20)14-29)22-7-8-23-26-13-19(28(23)27-22)11-15-3-6-21-16(10-15)2-1-9-25-21;2*1-15(17-9-10-19-18(14-17)8-5-13-23-19)22-25-24-21-12-11-20(26-27(21)22)16-6-3-2-4-7-16;2*22-20(16-8-9-17-15(13-16)7-4-12-23-17)21-25-24-19-11-10-18(26-27(19)21)14-5-2-1-3-6-14/h1-10,12-13,29H,11,14H2;2*2-15H,1H3;2*1-13,20H/t;2*15-;2*20-/m.1010/s1
InChIKeyANTMUTIGWBXYJE-MMJGAHALSA-N
MW1814.45 g/mol
LogP22.46
Rot. Bonds16

About [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline

[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline (PubChem CID 157173701) has the molecular formula C109H79ClF2N24O and a molecular weight of 1814.45 g/mol. Its IUPAC name is [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
PubChem CID157173701
Molecular FormulaC109H79ClF2N24O
Molecular Weight1814.45 g/mol
Exact Mass1812.65
IUPAC Name[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
SMILESC[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.F[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.F[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.OCc1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1Cl
InChIInChI=1S/C23H17ClN4O.2C22H17N5.2C21H14FN5/c24-20-12-17(4-5-18(20)14-29)22-7-8-23-26-13-19(28(23)27-22)11-15-3-6-21-16(10-15)2-1-9-25-21;2*1-15(17-9-10-19-18(14-17)8-5-13-23-19)22-25-24-21-12-11-20(26-27(21)22)16-6-3-2-4-7-16;2*22-20(16-8-9-17-15(13-16)7-4-12-23-17)21-25-24-19-11-10-18(26-27(19)21)14-5-2-1-3-6-14/h1-10,12-13,29H,11,14H2;2*2-15H,1H3;2*1-13,20H/t;2*15-;2*20-/m.1010/s1
InChIKeyANTMUTIGWBXYJE-MMJGAHALSA-N
XLogP22.46
TPSA287.19 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms137
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.45
LogP ≤ 522.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
The IUPAC name of [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline (CID 157173701) is [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline.
What is the SMILES notation for [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
The canonical SMILES for [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline is C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.F[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.F[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.OCc1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1Cl.
What is the InChIKey of [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
The InChIKey is ANTMUTIGWBXYJE-MMJGAHALSA-N. The full InChI is InChI=1S/C23H17ClN4O.2C22H17N5.2C21H14FN5/c24-20-12-17(4-5-18(20)14-29)22-7-8-23-26-13-19(28(23)27-22)11-15-3-6-21-16(10-15)2-1-9-25-21;2*1-15(17-9-10-19-18(14-17)8-5-13-23-19)22-25-24-21-12-11-20(26-27(21)22)16-6-3-2-4-7-16;2*22-20(16-8-9-17-15(13-16)7-4-12-23-17)21-25-24-19-11-10-18(26-27(19)21)14-5-2-1-3-6-14/h1-10,12-13,29H,11,14H2;2*2-15H,1H3;2*1-13,20H/t;2*15-;2*20-/m.1010/s1.
What are the key properties of [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline?
[2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline has a molecular weight of 1814.45 g/mol, XLogP of 22.46, 16 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol;6-[(S)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(R)-fluoro-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 157173701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).