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

C18H14N6O — CID 126709041

IUPACN-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide
SMILESCc1ccccc1-c1ccc2ncc(NC(=O)c3ncccn3)n2n1
InChIInChI=1S/C18H14N6O/c1-12-5-2-3-6-13(12)14-7-8-15-21-11-16(24(15)23-14)22-18(25)17-19-9-4-10-20-17/h2-11H,1H3,(H,22,25)
InChIKeyPFNWUMMXIAECJK-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.75
Rot. Bonds3

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

N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide (PubChem CID 126709041) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide
PubChem CID126709041
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC NameN-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide
SMILESCc1ccccc1-c1ccc2ncc(NC(=O)c3ncccn3)n2n1
InChIInChI=1S/C18H14N6O/c1-12-5-2-3-6-13(12)14-7-8-15-21-11-16(24(15)23-14)22-18(25)17-19-9-4-10-20-17/h2-11H,1H3,(H,22,25)
InChIKeyPFNWUMMXIAECJK-UHFFFAOYSA-N
XLogP2.75
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide (CID 126709041) is N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide is Cc1ccccc1-c1ccc2ncc(NC(=O)c3ncccn3)n2n1.
What is the InChIKey of N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is PFNWUMMXIAECJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-12-5-2-3-6-13(12)14-7-8-15-21-11-16(24(15)23-14)22-18(25)17-19-9-4-10-20-17/h2-11H,1H3,(H,22,25).
What are the key properties of N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide?
N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 126709041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).