2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

C21H21N5O2 — CID 4602899

IUPAC2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cccc(CNc2ccc3nc(-c4ccc(N)cc4)c(OC)n3n2)c1
InChIInChI=1S/C21H21N5O2/c1-27-17-5-3-4-14(12-17)13-23-18-10-11-19-24-20(21(28-2)26(19)25-18)15-6-8-16(22)9-7-15/h3-12H,13,22H2,1-2H3,(H,23,25)
InChIKeyHQRHGSRWOHGIRI-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 4602899) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID4602899
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cccc(CNc2ccc3nc(-c4ccc(N)cc4)c(OC)n3n2)c1
InChIInChI=1S/C21H21N5O2/c1-27-17-5-3-4-14(12-17)13-23-18-10-11-19-24-20(21(28-2)26(19)25-18)15-6-8-16(22)9-7-15/h3-12H,13,22H2,1-2H3,(H,23,25)
InChIKeyHQRHGSRWOHGIRI-UHFFFAOYSA-N
XLogP3.61
TPSA86.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 4602899) is 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is COc1cccc(CNc2ccc3nc(-c4ccc(N)cc4)c(OC)n3n2)c1.
What is the InChIKey of 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is HQRHGSRWOHGIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-27-17-5-3-4-14(12-17)13-23-18-10-11-19-24-20(21(28-2)26(19)25-18)15-6-8-16(22)9-7-15/h3-12H,13,22H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 375.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 4602899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).