N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide

C17H11FN6O — CID 71555484

IUPACN-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2ncc(-c3ccccc3F)n2n1)c1ncccn1
InChIInChI=1S/C17H11FN6O/c18-12-5-2-1-4-11(12)13-10-21-15-7-6-14(23-24(13)15)22-17(25)16-19-8-3-9-20-16/h1-10H,(H,22,23,25)
InChIKeyAOFHOUHNMJZJKG-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.58
Rot. Bonds3

About N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide

N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide (PubChem CID 71555484) has the molecular formula C17H11FN6O and a molecular weight of 334.31 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide
PubChem CID71555484
Molecular FormulaC17H11FN6O
Molecular Weight334.31 g/mol
Exact Mass334.10
IUPAC NameN-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2ncc(-c3ccccc3F)n2n1)c1ncccn1
InChIInChI=1S/C17H11FN6O/c18-12-5-2-1-4-11(12)13-10-21-15-7-6-14(23-24(13)15)22-17(25)16-19-8-3-9-20-16/h1-10H,(H,22,23,25)
InChIKeyAOFHOUHNMJZJKG-UHFFFAOYSA-N
XLogP2.58
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide (CID 71555484) is N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide is O=C(Nc1ccc2ncc(-c3ccccc3F)n2n1)c1ncccn1.
What is the InChIKey of N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide?
The InChIKey is AOFHOUHNMJZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6O/c18-12-5-2-1-4-11(12)13-10-21-15-7-6-14(23-24(13)15)22-17(25)16-19-8-3-9-20-16/h1-10H,(H,22,23,25).
What are the key properties of N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide?
N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide has a molecular weight of 334.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 71555484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).