N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C24H17ClF3N7O — CID 118538816

IUPACN-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CC(F)F
InChIInChI=1S/C24H17ClF3N7O/c1-13-30-22(14-2-4-16(25)5-3-14)23(34(13)11-18(26)27)17-6-7-21-31-20(12-35(21)33-17)32-24(36)15-8-9-29-19(28)10-15/h2-10,12,18H,11H2,1H3,(H,32,36)
InChIKeyYGLUPSVROQFDCO-UHFFFAOYSA-N
MW511.90 g/mol
LogP5.27
Rot. Bonds6

About N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118538816) has the molecular formula C24H17ClF3N7O and a molecular weight of 511.90 g/mol. Its IUPAC name is N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID118538816
Molecular FormulaC24H17ClF3N7O
Molecular Weight511.90 g/mol
Exact Mass511.11
IUPAC NameN-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CC(F)F
InChIInChI=1S/C24H17ClF3N7O/c1-13-30-22(14-2-4-16(25)5-3-14)23(34(13)11-18(26)27)17-6-7-21-31-20(12-35(21)33-17)32-24(36)15-8-9-29-19(28)10-15/h2-10,12,18H,11H2,1H3,(H,32,36)
InChIKeyYGLUPSVROQFDCO-UHFFFAOYSA-N
XLogP5.27
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.90
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 71279939
US10399985, Example 31
CID 118278223
1-[(3R)-3-[4-amino-3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 165368930
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1,3-dimethyl-1H-pyrazol-5-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
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CID 46899938
2-(4-chloro-2,6-difluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 51003514
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CID 53319647
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
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CID 58063225
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CID 66851323

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118538816) is N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CC(F)F.
What is the InChIKey of N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is YGLUPSVROQFDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N7O/c1-13-30-22(14-2-4-16(25)5-3-14)23(34(13)11-18(26)27)17-6-7-21-31-20(12-35(21)33-17)32-24(36)15-8-9-29-19(28)10-15/h2-10,12,18H,11H2,1H3,(H,32,36).
What are the key properties of N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 511.90 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118538816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).