N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide

C18H13FN4O3 — CID 16886175

IUPACN-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccco4)c3)cn2n1
InChIInChI=1S/C18H13FN4O3/c1-25-17-7-6-16-20-14(10-23(16)22-17)11-4-5-12(19)13(9-11)21-18(24)15-3-2-8-26-15/h2-10H,1H3,(H,21,24)
InChIKeyNQEUQLRODSPLLK-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.39
Rot. Bonds4

About N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide

N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 16886175) has the molecular formula C18H13FN4O3 and a molecular weight of 352.33 g/mol. Its IUPAC name is N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide
PubChem CID16886175
Molecular FormulaC18H13FN4O3
Molecular Weight352.33 g/mol
Exact Mass352.10
IUPAC NameN-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccco4)c3)cn2n1
InChIInChI=1S/C18H13FN4O3/c1-25-17-7-6-16-20-14(10-23(16)22-17)11-4-5-12(19)13(9-11)21-18(24)15-3-2-8-26-15/h2-10H,1H3,(H,21,24)
InChIKeyNQEUQLRODSPLLK-UHFFFAOYSA-N
XLogP3.39
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide (CID 16886175) is N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide is COc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccco4)c3)cn2n1.
What is the InChIKey of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is NQEUQLRODSPLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3/c1-25-17-7-6-16-20-14(10-23(16)22-17)11-4-5-12(19)13(9-11)21-18(24)15-3-2-8-26-15/h2-10H,1H3,(H,21,24).
What are the key properties of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide?
N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 16886175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).