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

C24H17FN6O — CID 11690379

IUPACN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccncc3)c2)ccc1F
InChIInChI=1S/C24H17FN6O/c1-15-13-17(4-5-19(15)25)22-23(31-21(30-22)3-2-9-28-31)18-8-12-27-20(14-18)29-24(32)16-6-10-26-11-7-16/h2-14H,1H3,(H,27,29,32)
InChIKeyMZRCCMMKNFJJEA-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.55
Rot. Bonds4

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

N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 11690379) has the molecular formula C24H17FN6O and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID11690379
Molecular FormulaC24H17FN6O
Molecular Weight424.44 g/mol
Exact Mass424.14
IUPAC NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccncc3)c2)ccc1F
InChIInChI=1S/C24H17FN6O/c1-15-13-17(4-5-19(15)25)22-23(31-21(30-22)3-2-9-28-31)18-8-12-27-20(14-18)29-24(32)16-6-10-26-11-7-16/h2-14H,1H3,(H,27,29,32)
InChIKeyMZRCCMMKNFJJEA-UHFFFAOYSA-N
XLogP4.55
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide with MolForge

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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]pyridine-4-carboxamide?
The IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 11690379) is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide is Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccncc3)c2)ccc1F.
What is the InChIKey of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is MZRCCMMKNFJJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O/c1-15-13-17(4-5-19(15)25)22-23(31-21(30-22)3-2-9-28-31)18-8-12-27-20(14-18)29-24(32)16-6-10-26-11-7-16/h2-14H,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]pyridine-4-carboxamide?
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]pyridine-4-carboxamide is sourced from PubChem (CID 11690379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).