6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole

C18H14Cl2F3N5 — CID 157035100

IUPAC6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole
SMILESClc1cc(C2CC2)c2nccn2n1.FC(F)(F)Cn1nc(Cl)c2ccccc21
InChIInChI=1S/C9H6ClF3N2.C9H8ClN3/c10-8-6-3-1-2-4-7(6)15(14-8)5-9(11,12)13;10-8-5-7(6-1-2-6)9-11-3-4-13(9)12-8/h1-4H,5H2;3-6H,1-2H2
InChIKeyMCITXWBPXIRDJE-UHFFFAOYSA-N
MW428.25 g/mol
LogP5.51
Rot. Bonds2

About 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole

6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole (PubChem CID 157035100) has the molecular formula C18H14Cl2F3N5 and a molecular weight of 428.25 g/mol. Its IUPAC name is 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

Compound Name6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole
PubChem CID157035100
Molecular FormulaC18H14Cl2F3N5
Molecular Weight428.25 g/mol
Exact Mass427.06
IUPAC Name6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole
SMILESClc1cc(C2CC2)c2nccn2n1.FC(F)(F)Cn1nc(Cl)c2ccccc21
InChIInChI=1S/C9H6ClF3N2.C9H8ClN3/c10-8-6-3-1-2-4-7(6)15(14-8)5-9(11,12)13;10-8-5-7(6-1-2-6)9-11-3-4-13(9)12-8/h1-4H,5H2;3-6H,1-2H2
InChIKeyMCITXWBPXIRDJE-UHFFFAOYSA-N
XLogP5.51
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.25
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032619
6-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-1-(2,2,2-trifluoroethyl)indazole-3-carbonitrile
CID 157033897
6-chloro-8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine
CID 157034181
6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034093
3-fluoro-1-(2,2,2-trifluoroethyl)indazole
CID 157032549
6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032271
5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole
CID 157032829
6-[2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-3,3-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-b]pyridin-2-one
CID 166826518
5'-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-4'-fluoro-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 175843040
6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033953
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole
CID 157032794
6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 157034388

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole?
The IUPAC name of 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole (CID 157035100) is 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole.
What is the SMILES notation for 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole?
The canonical SMILES for 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole is Clc1cc(C2CC2)c2nccn2n1.FC(F)(F)Cn1nc(Cl)c2ccccc21.
What is the InChIKey of 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole?
The InChIKey is MCITXWBPXIRDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2.C9H8ClN3/c10-8-6-3-1-2-4-7(6)15(14-8)5-9(11,12)13;10-8-5-7(6-1-2-6)9-11-3-4-13(9)12-8/h1-4H,5H2;3-6H,1-2H2.
What are the key properties of 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole?
6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 428.25 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 157035100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).