2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine

C22H17N5OS — CID 133492328

IUPAC2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine
SMILESc1ccc(-c2cc3c(o2)CN(c2ccc4nnc(-c5ccsc5)n4n2)CC3)cc1
InChIInChI=1S/C22H17N5OS/c1-2-4-15(5-3-1)18-12-16-8-10-26(13-19(16)28-18)21-7-6-20-23-24-22(27(20)25-21)17-9-11-29-14-17/h1-7,9,11-12,14H,8,10,13H2
InChIKeySYDDPGQQDSZQNI-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.68
Rot. Bonds3

About 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine

2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine (PubChem CID 133492328) has the molecular formula C22H17N5OS and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine
PubChem CID133492328
Molecular FormulaC22H17N5OS
Molecular Weight399.48 g/mol
Exact Mass399.12
IUPAC Name2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine
SMILESc1ccc(-c2cc3c(o2)CN(c2ccc4nnc(-c5ccsc5)n4n2)CC3)cc1
InChIInChI=1S/C22H17N5OS/c1-2-4-15(5-3-1)18-12-16-8-10-26(13-19(16)28-18)21-7-6-20-23-24-22(27(20)25-21)17-9-11-29-14-17/h1-7,9,11-12,14H,8,10,13H2
InChIKeySYDDPGQQDSZQNI-UHFFFAOYSA-N
XLogP4.68
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine with MolForge

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Related Compounds

7-nitro-2-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 133493317
6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133489197
3-thiophen-3-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488152
6-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133491986
N-benzyl-2-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133489045
6-[4-(4-nitrophenyl)piperazin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488193
6-(2,3-dimethylpyrrolidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133492501
6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 166223076
N-(2-ethylphenyl)-2-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133488529
2-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 163344367
2-(4-chlorophenoxy)-1-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 138008223
2-(4-fluorophenoxy)-1-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 154753103

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine?
The IUPAC name of 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine (CID 133492328) is 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine.
What is the SMILES notation for 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine?
The canonical SMILES for 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine is c1ccc(-c2cc3c(o2)CN(c2ccc4nnc(-c5ccsc5)n4n2)CC3)cc1.
What is the InChIKey of 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine?
The InChIKey is SYDDPGQQDSZQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS/c1-2-4-15(5-3-1)18-12-16-8-10-26(13-19(16)28-18)21-7-6-20-23-24-22(27(20)25-21)17-9-11-29-14-17/h1-7,9,11-12,14H,8,10,13H2.
What are the key properties of 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine?
2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine has a molecular weight of 399.48 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine is sourced from PubChem (CID 133492328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).