N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide

C25H22N6O3 — CID 118227019

IUPACN-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1
InChIInChI=1S/C25H22N6O3/c32-25(28-15-17-4-2-1-3-5-17)19-6-7-23-27-16-20(31(23)29-19)22-14-18-21(34-22)8-9-26-24(18)30-10-12-33-13-11-30/h1-9,14,16H,10-13,15H2,(H,28,32)
InChIKeyWYBMLHRFXSOJGY-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.30
Rot. Bonds5

About N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide

N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 118227019) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID118227019
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC NameN-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1
InChIInChI=1S/C25H22N6O3/c32-25(28-15-17-4-2-1-3-5-17)19-6-7-23-27-16-20(31(23)29-19)22-14-18-21(34-22)8-9-26-24(18)30-10-12-33-13-11-30/h1-9,14,16H,10-13,15H2,(H,28,32)
InChIKeyWYBMLHRFXSOJGY-UHFFFAOYSA-N
XLogP3.30
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-1-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]butan-1-one
CID 152911460
3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one
CID 144686361
N-[(2R)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[2,3-b]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
CID 154334689
N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108053
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51124890
4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
CID 123369102
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
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
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 122318781
(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
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866947
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide (CID 118227019) is N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide is O=C(NCc1ccccc1)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1.
What is the InChIKey of N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is WYBMLHRFXSOJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c32-25(28-15-17-4-2-1-3-5-17)19-6-7-23-27-16-20(31(23)29-19)22-14-18-21(34-22)8-9-26-24(18)30-10-12-33-13-11-30/h1-9,14,16H,10-13,15H2,(H,28,32).
What are the key properties of N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 118227019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).