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

C25H18FN5O — CID 59759607

IUPACN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)c2)ccc1F
InChIInChI=1S/C25H18FN5O/c1-16-14-18(9-10-20(16)26)23-24(31-22(30-23)8-5-12-28-31)19-11-13-27-21(15-19)29-25(32)17-6-3-2-4-7-17/h2-15H,1H3,(H,27,29,32)
InChIKeySHARQAUXHRDLBF-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.16
Rot. Bonds4

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

N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide (PubChem CID 59759607) has the molecular formula C25H18FN5O and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
PubChem CID59759607
Molecular FormulaC25H18FN5O
Molecular Weight423.45 g/mol
Exact Mass423.15
IUPAC NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)c2)ccc1F
InChIInChI=1S/C25H18FN5O/c1-16-14-18(9-10-20(16)26)23-24(31-22(30-23)8-5-12-28-31)19-11-13-27-21(15-19)29-25(32)17-6-3-2-4-7-17/h2-15H,1H3,(H,27,29,32)
InChIKeySHARQAUXHRDLBF-UHFFFAOYSA-N
XLogP5.16
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide (CID 59759607) is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide is Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)c2)ccc1F.
What is the InChIKey of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is SHARQAUXHRDLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O/c1-16-14-18(9-10-20(16)26)23-24(31-22(30-23)8-5-12-28-31)19-11-13-27-21(15-19)29-25(32)17-6-3-2-4-7-17/h2-15H,1H3,(H,27,29,32).
What are the key properties of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 423.45 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 59759607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).