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

C23H20FN7O — CID 118538764

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cc[nH]c1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C23H20FN7O/c1-13-10-11-25-20(13)23(32)28-18-12-31-19(27-18)9-8-17(29-31)22-21(26-14(2)30(22)3)15-4-6-16(24)7-5-15/h4-12,25H,1-3H3,(H,28,32)
InChIKeyLCHJOSRVKBZNDK-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.13
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide (PubChem CID 118538764) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide
PubChem CID118538764
Molecular FormulaC23H20FN7O
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cc[nH]c1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C23H20FN7O/c1-13-10-11-25-20(13)23(32)28-18-12-31-19(27-18)9-8-17(29-31)22-21(26-14(2)30(22)3)15-4-6-16(24)7-5-15/h4-12,25H,1-3H3,(H,28,32)
InChIKeyLCHJOSRVKBZNDK-UHFFFAOYSA-N
XLogP4.13
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-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]-3-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide (CID 118538764) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide is Cc1cc[nH]c1C(=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]-3-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is LCHJOSRVKBZNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O/c1-13-10-11-25-20(13)23(32)28-18-12-31-19(27-18)9-8-17(29-31)22-21(26-14(2)30(22)3)15-4-6-16(24)7-5-15/h4-12,25H,1-3H3,(H,28,32).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118538764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).