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

C20H16FN9O — CID 118538934

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ncn[nH]4)cn3n2)n1C
InChIInChI=1S/C20H16FN9O/c1-11-24-17(12-3-5-13(21)6-4-12)18(29(11)2)14-7-8-16-25-15(9-30(16)28-14)26-20(31)19-22-10-23-27-19/h3-10H,1-2H3,(H,26,31)(H,22,23,27)
InChIKeyXVSJYXZBADSXSJ-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.61
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 118538934) has the molecular formula C20H16FN9O and a molecular weight of 417.41 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID118538934
Molecular FormulaC20H16FN9O
Molecular Weight417.41 g/mol
Exact Mass417.15
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ncn[nH]4)cn3n2)n1C
InChIInChI=1S/C20H16FN9O/c1-11-24-17(12-3-5-13(21)6-4-12)18(29(11)2)14-7-8-16-25-15(9-30(16)28-14)26-20(31)19-22-10-23-27-19/h3-10H,1-2H3,(H,26,31)(H,22,23,27)
InChIKeyXVSJYXZBADSXSJ-UHFFFAOYSA-N
XLogP2.61
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vactosertib
CID 54766013
Tizaterkib
CID 129116690
Bms-754807
CID 24785538
Bezuclastinib
CID 75593308
3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
CID 121249896
CID 138105936
CID 138105936
Imidazole 81
CID 23647350
7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
1-[(3R)-3-[4-amino-3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 165368930
1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 24785273
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide
CID 24785806

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]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide (CID 118538934) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-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]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ncn[nH]4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is XVSJYXZBADSXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN9O/c1-11-24-17(12-3-5-13(21)6-4-12)18(29(11)2)14-7-8-16-25-15(9-30(16)28-14)26-20(31)19-22-10-23-27-19/h3-10H,1-2H3,(H,26,31)(H,22,23,27).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 118538934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).