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

C25H19N5O — CID 59759551

IUPACN-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
SMILESCc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C25H19N5O/c1-17-7-5-10-19(15-17)23-24(30-22(29-23)11-6-13-27-30)20-12-14-26-21(16-20)28-25(31)18-8-3-2-4-9-18/h2-16H,1H3,(H,26,28,31)
InChIKeyZCDMUCUWIVFZMM-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.02
Rot. Bonds4

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

N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide (PubChem CID 59759551) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
PubChem CID59759551
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC NameN-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
SMILESCc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C25H19N5O/c1-17-7-5-10-19(15-17)23-24(30-22(29-23)11-6-13-27-30)20-12-14-26-21(16-20)28-25(31)18-8-3-2-4-9-18/h2-16H,1H3,(H,26,28,31)
InChIKeyZCDMUCUWIVFZMM-UHFFFAOYSA-N
XLogP5.02
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide (CID 59759551) is N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide is Cc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is ZCDMUCUWIVFZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c1-17-7-5-10-19(15-17)23-24(30-22(29-23)11-6-13-27-30)20-12-14-26-21(16-20)28-25(31)18-8-3-2-4-9-18/h2-16H,1H3,(H,26,28,31).
What are the key properties of N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 59759551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).