4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine

C22H25N5O5S — CID 123369102

IUPAC4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
SMILESCC1CN(c2nccc3oc(-c4cnc5ccc(OCCCS(C)(=O)=O)nn45)cc23)CCO1
InChIInChI=1S/C22H25N5O5S/c1-15-14-26(8-10-30-15)22-16-12-19(32-18(16)6-7-23-22)17-13-24-20-4-5-21(25-27(17)20)31-9-3-11-33(2,28)29/h4-7,12-13,15H,3,8-11,14H2,1-2H3
InChIKeyBKLUJMWNMWMRSN-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.58
Rot. Bonds7

About 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine

4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine (PubChem CID 123369102) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
PubChem CID123369102
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
SMILESCC1CN(c2nccc3oc(-c4cnc5ccc(OCCCS(C)(=O)=O)nn45)cc23)CCO1
InChIInChI=1S/C22H25N5O5S/c1-15-14-26(8-10-30-15)22-16-12-19(32-18(16)6-7-23-22)17-13-24-20-4-5-21(25-27(17)20)31-9-3-11-33(2,28)29/h4-7,12-13,15H,3,8-11,14H2,1-2H3
InChIKeyBKLUJMWNMWMRSN-UHFFFAOYSA-N
XLogP2.58
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-[(3S)-3-methylpiperazin-1-yl]-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
CID 78324492
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
CID 123450528
CID 123450528
(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
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
5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 123513480
2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-[(3R)-3-methylmorpholin-4-yl]furo[3,2-c]pyridine
CID 90358369
N-[3-[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl-methyl-oxo-λ6-sulfanylidene]acetamide
CID 90336352
[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
5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one
CID 90357590
3-[4-[(3S)-3-methylpiperazin-1-yl]-1-benzofuran-2-yl]-6-(3-methylsulfinylpropoxy)imidazo[1,2-b]pyridazine
CID 90368885

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
The IUPAC name of 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine (CID 123369102) is 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine is CC1CN(c2nccc3oc(-c4cnc5ccc(OCCCS(C)(=O)=O)nn45)cc23)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
The InChIKey is BKLUJMWNMWMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-15-14-26(8-10-30-15)22-16-12-19(32-18(16)6-7-23-22)17-13-24-20-4-5-21(25-27(17)20)31-9-3-11-33(2,28)29/h4-7,12-13,15H,3,8-11,14H2,1-2H3.
What are the key properties of 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine?
4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine has a molecular weight of 471.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine is sourced from PubChem (CID 123369102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).