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

C22H19FN8O — CID 118538852

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C22H19FN8O/c1-12-16(10-24-28-12)22(32)27-18-11-31-19(26-18)9-8-17(29-31)21-20(25-13(2)30(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,24,28)(H,27,32)
InChIKeyIEJYEFIUNBARBM-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.53
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 118538852) has the molecular formula C22H19FN8O and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID118538852
Molecular FormulaC22H19FN8O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C22H19FN8O/c1-12-16(10-24-28-12)22(32)27-18-11-31-19(26-18)9-8-17(29-31)21-20(25-13(2)30(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,24,28)(H,27,32)
InChIKeyIEJYEFIUNBARBM-UHFFFAOYSA-N
XLogP3.53
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

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]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide (CID 118538852) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is IEJYEFIUNBARBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O/c1-12-16(10-24-28-12)22(32)27-18-11-31-19(26-18)9-8-17(29-31)21-20(25-13(2)30(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,24,28)(H,27,32).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 430.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118538852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).