1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C24H30N6O3 — CID 66615232

IUPAC1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(CNc2ccc3ncc(-c4cccc(O)c4)n3n2)CC1
InChIInChI=1S/C24H30N6O3/c31-20-3-1-2-19(14-20)21-16-26-23-5-4-22(27-30(21)23)25-15-18-6-8-29(9-7-18)24(32)17-28-10-12-33-13-11-28/h1-5,14,16,18,31H,6-13,15,17H2,(H,25,27)
InChIKeyIUJBUPDXMFTLHU-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.08
Rot. Bonds6

About 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 66615232) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID66615232
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(CNc2ccc3ncc(-c4cccc(O)c4)n3n2)CC1
InChIInChI=1S/C24H30N6O3/c31-20-3-1-2-19(14-20)21-16-26-23-5-4-22(27-30(21)23)25-15-18-6-8-29(9-7-18)24(32)17-28-10-12-33-13-11-28/h1-5,14,16,18,31H,6-13,15,17H2,(H,25,27)
InChIKeyIUJBUPDXMFTLHU-UHFFFAOYSA-N
XLogP2.08
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 66615232) is 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCC(CNc2ccc3ncc(-c4cccc(O)c4)n3n2)CC1.
What is the InChIKey of 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is IUJBUPDXMFTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c31-20-3-1-2-19(14-20)21-16-26-23-5-4-22(27-30(21)23)25-15-18-6-8-29(9-7-18)24(32)17-28-10-12-33-13-11-28/h1-5,14,16,18,31H,6-13,15,17H2,(H,25,27).
What are the key properties of 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 450.54 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 66615232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).