N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine

C19H15Cl2N5O — CID 126475837

IUPACN-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cncc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)c1
InChIInChI=1S/C19H15Cl2N5O/c1-27-14-7-13(9-22-10-14)17-11-24-19-5-4-18(25-26(17)19)23-8-12-2-3-15(20)16(21)6-12/h2-7,9-11H,8H2,1H3,(H,23,25)
InChIKeyIYASZIKGUBMZKO-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.72
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine

N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126475837) has the molecular formula C19H15Cl2N5O and a molecular weight of 400.27 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126475837
Molecular FormulaC19H15Cl2N5O
Molecular Weight400.27 g/mol
Exact Mass399.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cncc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)c1
InChIInChI=1S/C19H15Cl2N5O/c1-27-14-7-13(9-22-10-14)17-11-24-19-5-4-18(25-26(17)19)23-8-12-2-3-15(20)16(21)6-12/h2-7,9-11H,8H2,1H3,(H,23,25)
InChIKeyIYASZIKGUBMZKO-UHFFFAOYSA-N
XLogP4.72
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]-2-methoxyphenol
CID 135900201
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 66940761
N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine
CID 66940952
N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453643
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689
3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126474359
N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453666
4-[[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]benzoic acid
CID 66940863
N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
CID 59453696
3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126474614

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine (CID 126475837) is N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine is COc1cncc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is IYASZIKGUBMZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O/c1-27-14-7-13(9-22-10-14)17-11-24-19-5-4-18(25-26(17)19)23-8-12-2-3-15(20)16(21)6-12/h2-7,9-11H,8H2,1H3,(H,23,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine?
N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 400.27 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126475837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).