6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide

C16H16N4O2 — CID 87051013

IUPAC6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NCc3ccc(C)cc3)cn2n1
InChIInChI=1S/C16H16N4O2/c1-11-3-5-12(6-4-11)9-17-16(21)13-10-20-14(18-13)7-8-15(19-20)22-2/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyOZQOTKIEOLLKAY-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.98
Rot. Bonds4

About 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide

6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 87051013) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID87051013
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NCc3ccc(C)cc3)cn2n1
InChIInChI=1S/C16H16N4O2/c1-11-3-5-12(6-4-11)9-17-16(21)13-10-20-14(18-13)7-8-15(19-20)22-2/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyOZQOTKIEOLLKAY-UHFFFAOYSA-N
XLogP1.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 53166432
N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051043
N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051109
N-[(3,4-dimethoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42536396
N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051090
6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051214
N-[(4-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53014872
N-[(2,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051100
6-ethoxy-N-[(2-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051087
1-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-N-methylmethanamine
CID 84664013
6-(4-methoxy-3,5-dimethylphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690200
N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110851657

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 87051013) is 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide is COc1ccc2nc(C(=O)NCc3ccc(C)cc3)cn2n1.
What is the InChIKey of 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is OZQOTKIEOLLKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-3-5-12(6-4-11)9-17-16(21)13-10-20-14(18-13)7-8-15(19-20)22-2/h3-8,10H,9H2,1-2H3,(H,17,21).
What are the key properties of 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide?
6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 87051013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).