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

C19H16ClN5O — CID 45489227

IUPACN-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)cn1
InChIInChI=1S/C19H16ClN5O/c1-26-19-8-5-14(11-23-19)16-12-22-18-7-6-17(24-25(16)18)21-10-13-3-2-4-15(20)9-13/h2-9,11-12H,10H2,1H3,(H,21,24)
InChIKeyKUQQHAQXXRQQBY-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.07
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 45489227) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID45489227
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)cn1
InChIInChI=1S/C19H16ClN5O/c1-26-19-8-5-14(11-23-19)16-12-22-18-7-6-17(24-25(16)18)21-10-13-3-2-4-15(20)9-13/h2-9,11-12H,10H2,1H3,(H,21,24)
InChIKeyKUQQHAQXXRQQBY-UHFFFAOYSA-N
XLogP4.07
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine (CID 45489227) is N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine is COc1ccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)cn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KUQQHAQXXRQQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-26-19-8-5-14(11-23-19)16-12-22-18-7-6-17(24-25(16)18)21-10-13-3-2-4-15(20)9-13/h2-9,11-12H,10H2,1H3,(H,21,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine?
N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 365.82 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 45489227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).