6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate

C37H33Cl2FN8O4 — CID 162231460

IUPAC6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCC(C)Oc1ccncc1NC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12.CCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12.[2H]CF
InChIInChI=1S/C21H18ClN5O2.C15H12ClN3O2.CH3F/c1-13(2)29-18-8-9-23-11-16(18)25-21(28)15-10-19(22)26-27-12-17(24-20(15)27)14-6-4-3-5-7-14;1-2-21-15(20)11-8-13(16)18-19-9-12(17-14(11)19)10-6-4-3-5-7-10;1-2/h3-13H,1-2H3,(H,25,28);3-9H,2H2,1H3;1H3/i;;1D
InChIKeyZVMHVGKWKLVFFO-PRQZKWGPSA-N
MW744.63 g/mol
LogP8.30
Rot. Bonds8

About 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate

6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 162231460) has the molecular formula C37H33Cl2FN8O4 and a molecular weight of 744.63 g/mol. Its IUPAC name is 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

Compound Name6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
PubChem CID162231460
Molecular FormulaC37H33Cl2FN8O4
Molecular Weight744.63 g/mol
Exact Mass743.20
IUPAC Name6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCC(C)Oc1ccncc1NC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12.CCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12.[2H]CF
InChIInChI=1S/C21H18ClN5O2.C15H12ClN3O2.CH3F/c1-13(2)29-18-8-9-23-11-16(18)25-21(28)15-10-19(22)26-27-12-17(24-20(15)27)14-6-4-3-5-7-14;1-2-21-15(20)11-8-13(16)18-19-9-12(17-14(11)19)10-6-4-3-5-7-10;1-2/h3-13H,1-2H3,(H,25,28);3-9H,2H2,1H3;1H3/i;;1D
InChIKeyZVMHVGKWKLVFFO-PRQZKWGPSA-N
XLogP8.30
TPSA137.90 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500744.63
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate with MolForge

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Related Compounds

US10774086, Example 4
CID 134551585
US10774086, Example 3
CID 134551596
US10774086, Example 24
CID 139465947
US10774086, Example 19
CID 134551554
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl(2-phenoxyethyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522381
ethyl 1-[2-[4-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)piperazin-1-yl]ethyl]piperidine-4-carboxylate
CID 118522385
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-chlorophenoxy)ethyl-methylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522391
2-(dimethylamino)ethyl 1-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)-4-methylpiperidine-4-carboxylate
CID 118522400
2-Morpholin-4-ylethyl 1-[2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]-4-methylpiperidine-4-carboxylate
CID 118522542
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522544
(1-methylpiperidin-4-yl)methyl 1-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)piperidine-4-carboxylate
CID 118522565
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(4-morpholin-4-yl-4-oxobutyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522573

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate?
The IUPAC name of 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate (CID 162231460) is 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate.
What is the SMILES notation for 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate?
The canonical SMILES for 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate is CC(C)Oc1ccncc1NC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12.CCOC(=O)c1cc(Cl)nn2cc(-c3ccccc3)nc12.[2H]CF.
What is the InChIKey of 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate?
The InChIKey is ZVMHVGKWKLVFFO-PRQZKWGPSA-N. The full InChI is InChI=1S/C21H18ClN5O2.C15H12ClN3O2.CH3F/c1-13(2)29-18-8-9-23-11-16(18)25-21(28)15-10-19(22)26-27-12-17(24-20(15)27)14-6-4-3-5-7-14;1-2-21-15(20)11-8-13(16)18-19-9-12(17-14(11)19)10-6-4-3-5-7-10;1-2/h3-13H,1-2H3,(H,25,28);3-9H,2H2,1H3;1H3/i;;1D.
What are the key properties of 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate?
6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 744.63 g/mol, XLogP of 8.30, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 162231460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).