6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine

C17H11ClF4N6 — CID 157033432

IUPAC6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
SMILESFc1c([C@H]2C[C@@H]2c2cc(Cl)nn3ncnc23)ccc2cnn(CC(F)(F)F)c12
InChIInChI=1S/C17H11ClF4N6/c18-13-4-12(16-23-7-25-28(16)26-13)11-3-10(11)9-2-1-8-5-24-27(6-17(20,21)22)15(8)14(9)19/h1-2,4-5,7,10-11H,3,6H2/t10-,11+/m1/s1
InChIKeyJQAKJGQNKSMVRN-MNOVXSKESA-N
MW410.76 g/mol
LogP4.10
Rot. Bonds3

About 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine

6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 157033432) has the molecular formula C17H11ClF4N6 and a molecular weight of 410.76 g/mol. Its IUPAC name is 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID157033432
Molecular FormulaC17H11ClF4N6
Molecular Weight410.76 g/mol
Exact Mass410.07
IUPAC Name6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
SMILESFc1c([C@H]2C[C@@H]2c2cc(Cl)nn3ncnc23)ccc2cnn(CC(F)(F)F)c12
InChIInChI=1S/C17H11ClF4N6/c18-13-4-12(16-23-7-25-28(16)26-13)11-3-10(11)9-2-1-8-5-24-27(6-17(20,21)22)15(8)14(9)19/h1-2,4-5,7,10-11H,3,6H2/t10-,11+/m1/s1
InChIKeyJQAKJGQNKSMVRN-MNOVXSKESA-N
XLogP4.10
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.76
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-fluoro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032325
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
6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
CID 157032580
6-chloro-3-fluoro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033460
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-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032271
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
5-[3-chloro-8-[(1R,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032743
6-chloro-3-fluoro-8-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 175843057
6-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole
CID 157034796
ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole
CID 170588792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine (CID 157033432) is 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine is Fc1c([C@H]2C[C@@H]2c2cc(Cl)nn3ncnc23)ccc2cnn(CC(F)(F)F)c12.
What is the InChIKey of 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is JQAKJGQNKSMVRN-MNOVXSKESA-N. The full InChI is InChI=1S/C17H11ClF4N6/c18-13-4-12(16-23-7-25-28(16)26-13)11-3-10(11)9-2-1-8-5-24-27(6-17(20,21)22)15(8)14(9)19/h1-2,4-5,7,10-11H,3,6H2/t10-,11+/m1/s1.
What are the key properties of 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine?
6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 410.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 157033432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).