N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine

C18H19Cl2N5 — CID 66940952

IUPACN-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(CNc2ccc3ncc(N4CCCCC4)n3n2)cc1Cl
InChIInChI=1S/C18H19Cl2N5/c19-14-5-4-13(10-15(14)20)11-21-16-6-7-17-22-12-18(25(17)23-16)24-8-2-1-3-9-24/h4-7,10,12H,1-3,8-9,11H2,(H,21,23)
InChIKeyKMOHOVVQSOHSDJ-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.64
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine

N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 66940952) has the molecular formula C18H19Cl2N5 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID66940952
Molecular FormulaC18H19Cl2N5
Molecular Weight376.29 g/mol
Exact Mass375.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(CNc2ccc3ncc(N4CCCCC4)n3n2)cc1Cl
InChIInChI=1S/C18H19Cl2N5/c19-14-5-4-13(10-15(14)20)11-21-16-6-7-17-22-12-18(25(17)23-16)24-8-2-1-3-9-24/h4-7,10,12H,1-3,8-9,11H2,(H,21,23)
InChIKeyKMOHOVVQSOHSDJ-UHFFFAOYSA-N
XLogP4.64
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 66940761
N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475886
4-[[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]benzoic acid
CID 66940863
3-nitro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133433331
N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475837
4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 135900201
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453643
3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 155948830
N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857753
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 126471750

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine (CID 66940952) is N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine is Clc1ccc(CNc2ccc3ncc(N4CCCCC4)n3n2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KMOHOVVQSOHSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5/c19-14-5-4-13(10-15(14)20)11-21-16-6-7-17-22-12-18(25(17)23-16)24-8-2-1-3-9-24/h4-7,10,12H,1-3,8-9,11H2,(H,21,23).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine?
N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 376.29 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66940952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).