N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

C24H17F3N6O — CID 141429631

IUPACN-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3cccnn23)cn1
InChIInChI=1S/C24H17F3N6O/c1-15-7-8-19(31-23(34)16-4-2-5-18(10-16)24(25,26)27)11-20(15)32-14-17(12-30-32)21-13-28-22-6-3-9-29-33(21)22/h2-14H,1H3,(H,31,34)
InChIKeyREKRJPDVODUIMJ-UHFFFAOYSA-N
MW462.44 g/mol
LogP5.16
Rot. Bonds4

About N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 141429631) has the molecular formula C24H17F3N6O and a molecular weight of 462.44 g/mol. Its IUPAC name is N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID141429631
Molecular FormulaC24H17F3N6O
Molecular Weight462.44 g/mol
Exact Mass462.14
IUPAC NameN-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3cccnn23)cn1
InChIInChI=1S/C24H17F3N6O/c1-15-7-8-19(31-23(34)16-4-2-5-18(10-16)24(25,26)27)11-20(15)32-14-17(12-30-32)21-13-28-22-6-3-9-29-33(21)22/h2-14H,1H3,(H,31,34)
InChIKeyREKRJPDVODUIMJ-UHFFFAOYSA-N
XLogP5.16
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 141429631) is N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3cccnn23)cn1.
What is the InChIKey of N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is REKRJPDVODUIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O/c1-15-7-8-19(31-23(34)16-4-2-5-18(10-16)24(25,26)27)11-20(15)32-14-17(12-30-32)21-13-28-22-6-3-9-29-33(21)22/h2-14H,1H3,(H,31,34).
What are the key properties of N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 462.44 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 141429631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).