3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine

C23H25N5O3 — CID 90358363

IUPAC3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
SMILESC[C@H]1COCCN1c1cccc2oc(-c3cnc4ccc(OC5CC(N)C5)nn34)cc12
InChIInChI=1S/C23H25N5O3/c1-14-13-29-8-7-27(14)18-3-2-4-20-17(18)11-21(31-20)19-12-25-22-5-6-23(26-28(19)22)30-16-9-15(24)10-16/h2-6,11-12,14-16H,7-10,13,24H2,1H3/t14-,15?,16?/m0/s1
InChIKeyNAYWWNILRDRVGT-FHERZECASA-N
MW419.49 g/mol
LogP3.24
Rot. Bonds4

About 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine

3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine (PubChem CID 90358363) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
PubChem CID90358363
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
SMILESC[C@H]1COCCN1c1cccc2oc(-c3cnc4ccc(OC5CC(N)C5)nn34)cc12
InChIInChI=1S/C23H25N5O3/c1-14-13-29-8-7-27(14)18-3-2-4-20-17(18)11-21(31-20)19-12-25-22-5-6-23(26-28(19)22)30-16-9-15(24)10-16/h2-6,11-12,14-16H,7-10,13,24H2,1H3/t14-,15?,16?/m0/s1
InChIKeyNAYWWNILRDRVGT-FHERZECASA-N
XLogP3.24
TPSA91.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 123964951
3-[3-[4-[(2R)-2-methylmorpholin-4-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 78320110
2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-[(3R)-3-methylmorpholin-4-yl]furo[3,2-c]pyridine
CID 90358369
3-[3-(4-ethoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 71621411
3-[3-(5-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 71509431
(2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
CID 78323250
3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine
CID 123467029
(5S)-5-[[3-[4-[(2R)-2-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 90358318
3-[4-[(3S)-3-methylpiperazin-1-yl]-1-benzofuran-2-yl]-6-(3-methylsulfinylpropoxy)imidazo[1,2-b]pyridazine
CID 90368885
3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
CID 71744577
[3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid
CID 90358255
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexan-1-amine
CID 78091697

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine?
The IUPAC name of 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine (CID 90358363) is 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine.
What is the SMILES notation for 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine?
The canonical SMILES for 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine is C[C@H]1COCCN1c1cccc2oc(-c3cnc4ccc(OC5CC(N)C5)nn34)cc12.
What is the InChIKey of 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine?
The InChIKey is NAYWWNILRDRVGT-FHERZECASA-N. The full InChI is InChI=1S/C23H25N5O3/c1-14-13-29-8-7-27(14)18-3-2-4-20-17(18)11-21(31-20)19-12-25-22-5-6-23(26-28(19)22)30-16-9-15(24)10-16/h2-6,11-12,14-16H,7-10,13,24H2,1H3/t14-,15?,16?/m0/s1.
What are the key properties of 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine?
3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine has a molecular weight of 419.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine is sourced from PubChem (CID 90358363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).