N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide

C25H17FN8OS — CID 118537092

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ncc(-c5ccccn5)s4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H17FN8OS/c1-33-13-17(23(32-33)15-5-7-16(26)8-6-15)18-9-10-22-29-21(14-34(22)31-18)30-24(35)25-28-12-20(36-25)19-4-2-3-11-27-19/h2-14H,1H3,(H,30,35)
InChIKeyXPMFGJVVBNHJOG-UHFFFAOYSA-N
MW496.53 g/mol
LogP4.71
Rot. Bonds5

About N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 118537092) has the molecular formula C25H17FN8OS and a molecular weight of 496.53 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide
PubChem CID118537092
Molecular FormulaC25H17FN8OS
Molecular Weight496.53 g/mol
Exact Mass496.12
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ncc(-c5ccccn5)s4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H17FN8OS/c1-33-13-17(23(32-33)15-5-7-16(26)8-6-15)18-9-10-22-29-21(14-34(22)31-18)30-24(35)25-28-12-20(36-25)19-4-2-3-11-27-19/h2-14H,1H3,(H,30,35)
InChIKeyXPMFGJVVBNHJOG-UHFFFAOYSA-N
XLogP4.71
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide (CID 118537092) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4ncc(-c5ccccn5)s4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is XPMFGJVVBNHJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN8OS/c1-33-13-17(23(32-33)15-5-7-16(26)8-6-15)18-9-10-22-29-21(14-34(22)31-18)30-24(35)25-28-12-20(36-25)19-4-2-3-11-27-19/h2-14H,1H3,(H,30,35).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 496.53 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-pyridin-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118537092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).