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

C22H24N6O3 — CID 78320110

IUPAC3-[3-[4-[(2R)-2-methylmorpholin-4-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
SMILESC[C@@H]1CN(c2nccc3oc(-c4cnc5ccc(OC6CC(N)C6)nn45)cc23)CCO1
InChIInChI=1S/C22H24N6O3/c1-13-12-27(6-7-29-13)22-16-10-19(31-18(16)4-5-24-22)17-11-25-20-2-3-21(26-28(17)20)30-15-8-14(23)9-15/h2-5,10-11,13-15H,6-9,12,23H2,1H3/t13-,14?,15?/m1/s1
InChIKeyIJVFVGPDSCOTCP-WLYUNCDWSA-N
MW420.47 g/mol
LogP2.63
Rot. Bonds4

About 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

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 (PubChem CID 78320110) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[3-[4-[(2R)-2-methylmorpholin-4-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
PubChem CID78320110
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name3-[3-[4-[(2R)-2-methylmorpholin-4-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
SMILESC[C@@H]1CN(c2nccc3oc(-c4cnc5ccc(OC6CC(N)C6)nn45)cc23)CCO1
InChIInChI=1S/C22H24N6O3/c1-13-12-27(6-7-29-13)22-16-10-19(31-18(16)4-5-24-22)17-11-25-20-2-3-21(26-28(17)20)30-15-8-14(23)9-15/h2-5,10-11,13-15H,6-9,12,23H2,1H3/t13-,14?,15?/m1/s1
InChIKeyIJVFVGPDSCOTCP-WLYUNCDWSA-N
XLogP2.63
TPSA103.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
CID 123369102
3-[3-(4-ethoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 71621411
[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
3-[3-[4-[(3S)-3-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 90358363
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
3-[3-(5-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 71509431
2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(4-phenylpiperazin-1-yl)furo[3,2-c]pyridine
CID 90358449
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-[2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 123964951
4-[(3S)-3-methylpiperazin-1-yl]-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
CID 78324492
(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
(5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 90358198

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CN(c2nccc3oc(-c4cnc5ccc(OC6CC(N)C6)nn45)cc23)CCO1.
What is the InChIKey of 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?
The InChIKey is IJVFVGPDSCOTCP-WLYUNCDWSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-12-27(6-7-29-13)22-16-10-19(31-18(16)4-5-24-22)17-11-25-20-2-3-21(26-28(17)20)30-15-8-14(23)9-15/h2-5,10-11,13-15H,6-9,12,23H2,1H3/t13-,14?,15?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 420.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 78320110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).