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

C24H21FN8OS — CID 90246111

IUPACN-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccc2n1)c1cncs1
InChIInChI=1S/C24H21FN8OS/c25-16-3-1-15(2-4-16)22-23(32(13-28-22)17-7-9-26-10-8-17)18-5-6-21-29-20(12-33(21)31-18)30-24(34)19-11-27-14-35-19/h1-6,11-14,17,26H,7-10H2,(H,30,34)
InChIKeyLGELLTMLRTZFER-UHFFFAOYSA-N
MW488.55 g/mol
LogP4.03
Rot. Bonds5

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

N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 90246111) has the molecular formula C24H21FN8OS and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID90246111
Molecular FormulaC24H21FN8OS
Molecular Weight488.55 g/mol
Exact Mass488.15
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccc2n1)c1cncs1
InChIInChI=1S/C24H21FN8OS/c25-16-3-1-15(2-4-16)22-23(32(13-28-22)17-7-9-26-10-8-17)18-5-6-21-29-20(12-33(21)31-18)30-24(34)19-11-27-14-35-19/h1-6,11-14,17,26H,7-10H2,(H,30,34)
InChIKeyLGELLTMLRTZFER-UHFFFAOYSA-N
XLogP4.03
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide (CID 90246111) is N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccc2n1)c1cncs1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LGELLTMLRTZFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8OS/c25-16-3-1-15(2-4-16)22-23(32(13-28-22)17-7-9-26-10-8-17)18-5-6-21-29-20(12-33(21)31-18)30-24(34)19-11-27-14-35-19/h1-6,11-14,17,26H,7-10H2,(H,30,34).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide?
N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90246111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).