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

C23H18FN7O2 — CID 118538737

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(=O)[nH]c4)cn3n2)n1C
InChIInChI=1S/C23H18FN7O2/c1-13-26-21(14-3-6-16(24)7-4-14)22(30(13)2)17-8-9-19-27-18(12-31(19)29-17)28-23(33)15-5-10-20(32)25-11-15/h3-12H,1-2H3,(H,25,32)(H,28,33)
InChIKeyZXUMNIGSTLMNDC-UHFFFAOYSA-N
MW443.44 g/mol
LogP3.18
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 118538737) has the molecular formula C23H18FN7O2 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID118538737
Molecular FormulaC23H18FN7O2
Molecular Weight443.44 g/mol
Exact Mass443.15
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(=O)[nH]c4)cn3n2)n1C
InChIInChI=1S/C23H18FN7O2/c1-13-26-21(14-3-6-16(24)7-4-14)22(30(13)2)17-8-9-19-27-18(12-31(19)29-17)28-23(33)15-5-10-20(32)25-11-15/h3-12H,1-2H3,(H,25,32)(H,28,33)
InChIKeyZXUMNIGSTLMNDC-UHFFFAOYSA-N
XLogP3.18
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 118538737) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(=O)[nH]c4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZXUMNIGSTLMNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2/c1-13-26-21(14-3-6-16(24)7-4-14)22(30(13)2)17-8-9-19-27-18(12-31(19)29-17)28-23(33)15-5-10-20(32)25-11-15/h3-12H,1-2H3,(H,25,32)(H,28,33).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 3.18, 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]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118538737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).