3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol

C41H37F4N9O — CID 159384059

IUPAC3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol
SMILESCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(C)(C)O)n2n1.Fc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C4CC4)n3c2)cc1
InChIInChI=1S/C21H17F3N4.C20H20FN5O/c22-16-6-3-14(4-7-16)20-21(27(12-26-20)11-18(23)24)15-5-8-19-25-9-17(13-1-2-13)28(19)10-15;1-4-25-12-23-18(13-5-7-14(21)8-6-13)19(25)15-9-10-17-22-11-16(20(2,3)27)26(17)24-15/h3-10,12-13,18H,1-2,11H2;5-12,27H,4H2,1-3H3
InChIKeyLLGUONGVSVFOGD-UHFFFAOYSA-N
MW747.80 g/mol
LogP8.79
Rot. Bonds9

About 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol

3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol (PubChem CID 159384059) has the molecular formula C41H37F4N9O and a molecular weight of 747.80 g/mol. Its IUPAC name is 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol
PubChem CID159384059
Molecular FormulaC41H37F4N9O
Molecular Weight747.80 g/mol
Exact Mass747.31
IUPAC Name3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol
SMILESCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(C)(C)O)n2n1.Fc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C4CC4)n3c2)cc1
InChIInChI=1S/C21H17F3N4.C20H20FN5O/c22-16-6-3-14(4-7-16)20-21(27(12-26-20)11-18(23)24)15-5-8-19-25-9-17(13-1-2-13)28(19)10-15;1-4-25-12-23-18(13-5-7-14(21)8-6-13)19(25)15-9-10-17-22-11-16(20(2,3)27)26(17)24-15/h3-10,12-13,18H,1-2,11H2;5-12,27H,4H2,1-3H3
InChIKeyLLGUONGVSVFOGD-UHFFFAOYSA-N
XLogP8.79
TPSA103.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.80
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol with MolForge

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Related Compounds

2-[7-[[2-(6-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol
CID 11176903
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol
CID 11269449
US9884868, Example 214''
CID 122510504
US9884868, Example 210''
CID 122510720
US9884868, Example 204''
CID 122510767
US9884868, Example 213''
CID 122510847
US9884868, Example 278''
CID 122523296
US11459329, Example 66
CID 152280506
2-[6-[1-(2-Fluoro-3-pyridinyl)-5-methyltriazol-4-yl]imidazo[1,2-a]pyridin-2-yl]propan-2-ol
CID 23158159
1-[4-[2-(3-Fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 25145503
1-[4-[2-(4-Fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 25145504
(R)-1-(4-(6-(6-((R)-2-(3-fluorophenyl)pyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl)pyridin-2-yl)pyrimidin-2-yl)pyrrolidin-3-ol
CID 44470247

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol?
The IUPAC name of 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol (CID 159384059) is 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol.
What is the SMILES notation for 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol?
The canonical SMILES for 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol is CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(C)(C)O)n2n1.Fc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C4CC4)n3c2)cc1.
What is the InChIKey of 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol?
The InChIKey is LLGUONGVSVFOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4.C20H20FN5O/c22-16-6-3-14(4-7-16)20-21(27(12-26-20)11-18(23)24)15-5-8-19-25-9-17(13-1-2-13)28(19)10-15;1-4-25-12-23-18(13-5-7-14(21)8-6-13)19(25)15-9-10-17-22-11-16(20(2,3)27)26(17)24-15/h3-10,12-13,18H,1-2,11H2;5-12,27H,4H2,1-3H3.
What are the key properties of 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol?
3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol has a molecular weight of 747.80 g/mol, XLogP of 8.79, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol is sourced from PubChem (CID 159384059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).