N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine

C21H20ClN5 — CID 44530399

IUPACN-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)c1cccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)c1
InChIInChI=1S/C21H20ClN5/c1-26(2)18-8-4-6-16(12-18)19-14-24-21-10-9-20(25-27(19)21)23-13-15-5-3-7-17(22)11-15/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyPEKBNJBKQICUIE-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.73
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 44530399) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID44530399
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)c1cccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)c1
InChIInChI=1S/C21H20ClN5/c1-26(2)18-8-4-6-16(12-18)19-14-24-21-10-9-20(25-27(19)21)23-13-15-5-3-7-17(22)11-15/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyPEKBNJBKQICUIE-UHFFFAOYSA-N
XLogP4.73
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 44530399) is N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine is CN(C)c1cccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is PEKBNJBKQICUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c1-26(2)18-8-4-6-16(12-18)19-14-24-21-10-9-20(25-27(19)21)23-13-15-5-3-7-17(22)11-15/h3-12,14H,13H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 377.88 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[3-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 44530399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).