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

C26H19FN8OS — CID 118538859

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cnc(-c5ccncc5)s4)cn3n2)n1C
InChIInChI=1S/C26H19FN8OS/c1-15-30-23(16-3-5-18(27)6-4-16)24(34(15)2)19-7-8-22-31-21(14-35(22)33-19)32-25(36)20-13-29-26(37-20)17-9-11-28-12-10-17/h3-14H,1-2H3,(H,32,36)
InChIKeyRZZPHONYFPKYAG-UHFFFAOYSA-N
MW510.56 g/mol
LogP5.02
Rot. Bonds5

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 118538859) has the molecular formula C26H19FN8OS and a molecular weight of 510.56 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID118538859
Molecular FormulaC26H19FN8OS
Molecular Weight510.56 g/mol
Exact Mass510.14
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cnc(-c5ccncc5)s4)cn3n2)n1C
InChIInChI=1S/C26H19FN8OS/c1-15-30-23(16-3-5-18(27)6-4-16)24(34(15)2)19-7-8-22-31-21(14-35(22)33-19)32-25(36)20-13-29-26(37-20)17-9-11-28-12-10-17/h3-14H,1-2H3,(H,32,36)
InChIKeyRZZPHONYFPKYAG-UHFFFAOYSA-N
XLogP5.02
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 118538859) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cnc(-c5ccncc5)s4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RZZPHONYFPKYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN8OS/c1-15-30-23(16-3-5-18(27)6-4-16)24(34(15)2)19-7-8-22-31-21(14-35(22)33-19)32-25(36)20-13-29-26(37-20)17-9-11-28-12-10-17/h3-14H,1-2H3,(H,32,36).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 510.56 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118538859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).