N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide

C17H15ClN4O2 — CID 16886064

IUPACN-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide
SMILESCOc1ccc2nc(-c3ccc(Cl)c(NC(=O)C4CC4)c3)cn2n1
InChIInChI=1S/C17H15ClN4O2/c1-24-16-7-6-15-19-14(9-22(15)21-16)11-4-5-12(18)13(8-11)20-17(23)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,23)
InChIKeyZYLBMZFODVVUPN-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.41
Rot. Bonds4

About N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide

N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide (PubChem CID 16886064) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide
PubChem CID16886064
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide
SMILESCOc1ccc2nc(-c3ccc(Cl)c(NC(=O)C4CC4)c3)cn2n1
InChIInChI=1S/C17H15ClN4O2/c1-24-16-7-6-15-19-14(9-22(15)21-16)11-4-5-12(18)13(8-11)20-17(23)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,23)
InChIKeyZYLBMZFODVVUPN-UHFFFAOYSA-N
XLogP3.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide (CID 16886064) is N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide is COc1ccc2nc(-c3ccc(Cl)c(NC(=O)C4CC4)c3)cn2n1.
What is the InChIKey of N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is ZYLBMZFODVVUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-24-16-7-6-15-19-14(9-22(15)21-16)11-4-5-12(18)13(8-11)20-17(23)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,23).
What are the key properties of N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide?
N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 16886064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).