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

C24H18N6O — CID 59759724

IUPACN-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide
SMILESCc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C24H18N6O/c1-16-7-5-10-18(15-16)21-22(30-20(28-21)11-6-13-26-30)19-12-14-25-24(27-19)29-23(31)17-8-3-2-4-9-17/h2-15H,1H3,(H,25,27,29,31)
InChIKeyWDSCOALUHAJVNA-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.41
Rot. Bonds4

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

N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide (PubChem CID 59759724) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide
PubChem CID59759724
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC NameN-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide
SMILESCc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C24H18N6O/c1-16-7-5-10-18(15-16)21-22(30-20(28-21)11-6-13-26-30)19-12-14-25-24(27-19)29-23(31)17-8-3-2-4-9-17/h2-15H,1H3,(H,25,27,29,31)
InChIKeyWDSCOALUHAJVNA-UHFFFAOYSA-N
XLogP4.41
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide?
The IUPAC name of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide (CID 59759724) is N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide is Cc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)n2)c1.
What is the InChIKey of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide?
The InChIKey is WDSCOALUHAJVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O/c1-16-7-5-10-18(15-16)21-22(30-20(28-21)11-6-13-26-30)19-12-14-25-24(27-19)29-23(31)17-8-3-2-4-9-17/h2-15H,1H3,(H,25,27,29,31).
What are the key properties of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide?
N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide has a molecular weight of 406.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 59759724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).