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

C28H17FN8OS — CID 118538921

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C28H17FN8OS/c29-19-8-6-17(7-9-19)25-26(36-13-2-1-5-23(36)34-25)20-10-11-24-32-22(15-37(24)35-20)33-27(38)21-16-39-28(31-21)18-4-3-12-30-14-18/h1-16H,(H,33,38)
InChIKeyONNIGXIAIRUUBT-UHFFFAOYSA-N
MW532.56 g/mol
LogP5.62
Rot. Bonds5

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

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 118538921) has the molecular formula C28H17FN8OS and a molecular weight of 532.56 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID118538921
Molecular FormulaC28H17FN8OS
Molecular Weight532.56 g/mol
Exact Mass532.12
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C28H17FN8OS/c29-19-8-6-17(7-9-19)25-26(36-13-2-1-5-23(36)34-25)20-10-11-24-32-22(15-37(24)35-20)33-27(38)21-16-39-28(31-21)18-4-3-12-30-14-18/h1-16H,(H,33,38)
InChIKeyONNIGXIAIRUUBT-UHFFFAOYSA-N
XLogP5.62
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.56
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 118538921) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ONNIGXIAIRUUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17FN8OS/c29-19-8-6-17(7-9-19)25-26(36-13-2-1-5-23(36)34-25)20-10-11-24-32-22(15-37(24)35-20)33-27(38)21-16-39-28(31-21)18-4-3-12-30-14-18/h1-16H,(H,33,38).
What are the key properties of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 532.56 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118538921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).