N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide

C16H14ClFN4O2 — CID 87051090

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1ccc2nc(C(=O)NCc3ccc(F)c(Cl)c3)cn2n1
InChIInChI=1S/C16H14ClFN4O2/c1-2-24-15-6-5-14-20-13(9-22(14)21-15)16(23)19-8-10-3-4-12(18)11(17)7-10/h3-7,9H,2,8H2,1H3,(H,19,23)
InChIKeySVNFACQOVGDBTO-UHFFFAOYSA-N
MW348.77 g/mol
LogP2.85
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 87051090) has the molecular formula C16H14ClFN4O2 and a molecular weight of 348.77 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID87051090
Molecular FormulaC16H14ClFN4O2
Molecular Weight348.77 g/mol
Exact Mass348.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1ccc2nc(C(=O)NCc3ccc(F)c(Cl)c3)cn2n1
InChIInChI=1S/C16H14ClFN4O2/c1-2-24-15-6-5-14-20-13(9-22(14)21-15)16(23)19-8-10-3-4-12(18)11(17)7-10/h3-7,9H,2,8H2,1H3,(H,19,23)
InChIKeySVNFACQOVGDBTO-UHFFFAOYSA-N
XLogP2.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051109
6-ethoxy-N-[(2-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051087
N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051043
N-[(3-fluorophenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 53166432
N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53167047
N-[(2,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051100
6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051013
6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051214
6-ethoxy-N-(2-piperidin-1-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051144
N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051141
6-ethoxy-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051064
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide (CID 87051090) is N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide is CCOc1ccc2nc(C(=O)NCc3ccc(F)c(Cl)c3)cn2n1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is SVNFACQOVGDBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O2/c1-2-24-15-6-5-14-20-13(9-22(14)21-15)16(23)19-8-10-3-4-12(18)11(17)7-10/h3-7,9H,2,8H2,1H3,(H,19,23).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 348.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 87051090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).