4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol

C20H18N4O2 — CID 135900158

IUPAC4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCOc1ccc(CNc2ccc3ncc(-c4ccc(O)cc4)n3n2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-17-8-2-14(3-9-17)12-21-19-10-11-20-22-13-18(24(20)23-19)15-4-6-16(25)7-5-15/h2-11,13,25H,12H2,1H3,(H,21,23)
InChIKeyFKCNTNLOFNANIQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.72
Rot. Bonds5

About 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol

4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 135900158) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID135900158
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCOc1ccc(CNc2ccc3ncc(-c4ccc(O)cc4)n3n2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-17-8-2-14(3-9-17)12-21-19-10-11-20-22-13-18(24(20)23-19)15-4-6-16(25)7-5-15/h2-11,13,25H,12H2,1H3,(H,21,23)
InChIKeyFKCNTNLOFNANIQ-UHFFFAOYSA-N
XLogP3.72
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (CID 135900158) is 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol is COc1ccc(CNc2ccc3ncc(-c4ccc(O)cc4)n3n2)cc1.
What is the InChIKey of 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is FKCNTNLOFNANIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-17-8-2-14(3-9-17)12-21-19-10-11-20-22-13-18(24(20)23-19)15-4-6-16(25)7-5-15/h2-11,13,25H,12H2,1H3,(H,21,23).
What are the key properties of 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 346.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-methoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 135900158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).