8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine

C23H21F2N5O3 — CID 157033991

IUPAC8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(OCC(F)F)cc3)c3nccn3n2)c(OC)n1
InChIInChI=1S/C23H21F2N5O3/c1-31-22-18(11-27-23(28-22)32-2)19-10-17(21-26-7-8-30(21)29-19)16-9-15(16)13-3-5-14(6-4-13)33-12-20(24)25/h3-8,10-11,15-16,20H,9,12H2,1-2H3/t15-,16+/m1/s1
InChIKeyFMTAJIAXBAXMBY-CVEARBPZSA-N
MW453.45 g/mol
LogP4.12
Rot. Bonds8

About 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine

8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine (PubChem CID 157033991) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
PubChem CID157033991
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC Name8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(OCC(F)F)cc3)c3nccn3n2)c(OC)n1
InChIInChI=1S/C23H21F2N5O3/c1-31-22-18(11-27-23(28-22)32-2)19-10-17(21-26-7-8-30(21)29-19)16-9-15(16)13-3-5-14(6-4-13)33-12-20(24)25/h3-8,10-11,15-16,20H,9,12H2,1-2H3/t15-,16+/m1/s1
InChIKeyFMTAJIAXBAXMBY-CVEARBPZSA-N
XLogP4.12
TPSA83.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033180
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[1-(trifluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034073
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034385
8-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034675
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-(2,2,2-trifluoroethoxy)quinoline
CID 157034213
6-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-4-(2,2,2-trifluoroethoxy)quinoline
CID 157033656
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1-(2,2,2-trifluoroethyl)quinolin-2-one
CID 157034538
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034619
6-chloro-8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033292
6-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-3-carbonitrile
CID 157034029
4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline
CID 157032355

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine (CID 157033991) is 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine is COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(OCC(F)F)cc3)c3nccn3n2)c(OC)n1.
What is the InChIKey of 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?
The InChIKey is FMTAJIAXBAXMBY-CVEARBPZSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c1-31-22-18(11-27-23(28-22)32-2)19-10-17(21-26-7-8-30(21)29-19)16-9-15(16)13-3-5-14(6-4-13)33-12-20(24)25/h3-8,10-11,15-16,20H,9,12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?
8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine has a molecular weight of 453.45 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157033991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).