6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine

C17H12ClF3N6 — CID 157034093

IUPAC6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Cn1ncc2ccc([C@H]3C[C@@H]3c3cc(Cl)nn4ccnc34)nc21
InChIInChI=1S/C17H12ClF3N6/c18-14-6-12(16-22-3-4-26(16)25-14)10-5-11(10)13-2-1-9-7-23-27(15(9)24-13)8-17(19,20)21/h1-4,6-7,10-11H,5,8H2/t10-,11-/m0/s1
InChIKeyQQHGZTAWRUFAQE-QWRGUYRKSA-N
MW392.77 g/mol
LogP3.96
Rot. Bonds3

About 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine

6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157034093) has the molecular formula C17H12ClF3N6 and a molecular weight of 392.77 g/mol. Its IUPAC name is 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157034093
Molecular FormulaC17H12ClF3N6
Molecular Weight392.77 g/mol
Exact Mass392.08
IUPAC Name6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Cn1ncc2ccc([C@H]3C[C@@H]3c3cc(Cl)nn4ccnc34)nc21
InChIInChI=1S/C17H12ClF3N6/c18-14-6-12(16-22-3-4-26(16)25-14)10-5-11(10)13-2-1-9-7-23-27(15(9)24-13)8-17(19,20)21/h1-4,6-7,10-11H,5,8H2/t10-,11-/m0/s1
InChIKeyQQHGZTAWRUFAQE-QWRGUYRKSA-N
XLogP3.96
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 53.96
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)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032271
6-chloro-8-[(1R,2R)-2-[2-(trifluoromethyl)pyrimidin-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033953
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-[(1S,2S)-2-[7-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
CID 157033432
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-[(1S,2S)-2-[1-(difluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033097
6-[(1S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-8-(trifluoromethyl)quinoline
CID 174040066
6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole
CID 157035100
6-chloro-8-[(1S,2S)-2-(2,3,5-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032424

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 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) is 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is FC(F)(F)Cn1ncc2ccc([C@H]3C[C@@H]3c3cc(Cl)nn4ccnc34)nc21.
What is the InChIKey of 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is QQHGZTAWRUFAQE-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H12ClF3N6/c18-14-6-12(16-22-3-4-26(16)25-14)10-5-11(10)13-2-1-9-7-23-27(15(9)24-13)8-17(19,20)21/h1-4,6-7,10-11H,5,8H2/t10-,11-/m0/s1.
What are the key properties of 6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 392.77 g/mol, XLogP of 3.96, 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-[1-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157034093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).