6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C19H14ClF5N6O — CID 157034388

IUPAC6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Cn1ncc2ccc(O[C@H]3CN(c4cc(Cl)nn5ccnc45)CC3(F)F)cc21
InChIInChI=1S/C19H14ClF5N6O/c20-16-6-14(17-26-3-4-30(17)28-16)29-8-15(18(21,22)9-29)32-12-2-1-11-7-27-31(13(11)5-12)10-19(23,24)25/h1-7,15H,8-10H2/t15-/m0/s1
InChIKeyYMEUQLCWEOAKGH-HNNXBMFYSA-N
MW472.81 g/mol
LogP4.20
Rot. Bonds4

About 6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine

6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 157034388) has the molecular formula C19H14ClF5N6O and a molecular weight of 472.81 g/mol. Its IUPAC name is 6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID157034388
Molecular FormulaC19H14ClF5N6O
Molecular Weight472.81 g/mol
Exact Mass472.08
IUPAC Name6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Cn1ncc2ccc(O[C@H]3CN(c4cc(Cl)nn5ccnc45)CC3(F)F)cc21
InChIInChI=1S/C19H14ClF5N6O/c20-16-6-14(17-26-3-4-30(17)28-16)29-8-15(18(21,22)9-29)32-12-2-1-11-7-27-31(13(11)5-12)10-19(23,24)25/h1-7,15H,8-10H2/t15-/m0/s1
InChIKeyYMEUQLCWEOAKGH-HNNXBMFYSA-N
XLogP4.20
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.81
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034367
6-[(3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4,4-difluoropyrrolidin-3-yl]oxy-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine
CID 170709419
8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 168861808
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-[3-(2,2-difluorocyclopropyl)azetidin-1-yl]imidazo[1,2-b]pyridazine
CID 157033945
5-[8-[(4S)-3,3-difluoro-4-[4-methyl-3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032647
1-[8-[3,3-difluoro-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2,4-dione
CID 167436260
6-chloro-8-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 157033258
[1-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-3-fluoroazetidin-3-yl]methanol
CID 157032463
5-[8-[3,3-difluoro-4-(4-methylphenoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033889
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-[(4R)-3,3-difluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368747

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 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) is 6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine is FC(F)(F)Cn1ncc2ccc(O[C@H]3CN(c4cc(Cl)nn5ccnc45)CC3(F)F)cc21.
What is the InChIKey of 6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is YMEUQLCWEOAKGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H14ClF5N6O/c20-16-6-14(17-26-3-4-30(17)28-16)29-8-15(18(21,22)9-29)32-12-2-1-11-7-27-31(13(11)5-12)10-19(23,24)25/h1-7,15H,8-10H2/t15-/m0/s1.
What are the key properties of 6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 472.81 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157034388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).