6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C19H14ClF3N6O — CID 122510669

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(F)(F)Cn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H14ClF3N6O/c1-19(22,23)8-28-9-26-16(10-2-3-12(21)11(20)6-10)17(28)13-4-5-15-25-7-14(18(24)30)29(15)27-13/h2-7,9H,8H2,1H3,(H2,24,30)
InChIKeyXVOPIACIPAWDDD-UHFFFAOYSA-N
MW434.81 g/mol
LogP3.81
Rot. Bonds5

About 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510669) has the molecular formula C19H14ClF3N6O and a molecular weight of 434.81 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510669
Molecular FormulaC19H14ClF3N6O
Molecular Weight434.81 g/mol
Exact Mass434.09
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(F)(F)Cn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C19H14ClF3N6O/c1-19(22,23)8-28-9-26-16(10-2-3-12(21)11(20)6-10)17(28)13-4-5-15-25-7-14(18(24)30)29(15)27-13/h2-7,9H,8H2,1H3,(H2,24,30)
InChIKeyXVOPIACIPAWDDD-UHFFFAOYSA-N
XLogP3.81
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-986260
CID 122510453
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1,3-dimethyl-1H-pyrazol-5-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899752
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1-ethyl-1H-pyrazol-5-yl)-7-methylimidazo(1,2-a)pyrimidine-2-carboxamide
CID 46899938
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-amino-N-[3-(2,5-dichlorophenyl)-1-methyl-1H-pyrazol-4-yl]-
CID 58063117
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063225
N-[3-(5-chloro-2-cyclopropylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851323
N-[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496595
6-[3-(2,2-Difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510927
7-[(3-Chlorophenyl)methyl]-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129116708
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135223028
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 165414967

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510669) is 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(F)(F)Cn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is XVOPIACIPAWDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N6O/c1-19(22,23)8-28-9-26-16(10-2-3-12(21)11(20)6-10)17(28)13-4-5-15-25-7-14(18(24)30)29(15)27-13/h2-7,9H,8H2,1H3,(H2,24,30).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 434.81 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-(2,2-difluoropropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).