3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine

C24H10N14O2S — CID 141093980

IUPAC3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine
SMILESc1cc2noc(-c3c(-c4cc5ncoc5nn4)nn(-c4cc5nccc-5[nH]n4)c3-c3cc4ncsc4nn3)c2nn1
InChIInChI=1S/C24H10N14O2S/c1-3-25-12-7-17(32-29-10(1)12)38-21(14-6-16-24(35-31-14)41-9-27-16)18(22-20-11(37-40-22)2-4-28-33-20)19(36-38)13-5-15-23(34-30-13)39-8-26-15/h1-9,29H
InChIKeyGTGCKRVJZBTSFE-UHFFFAOYSA-N
MW558.51 g/mol
LogP3.36
Rot. Bonds4

About 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine

3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine (PubChem CID 141093980) has the molecular formula C24H10N14O2S and a molecular weight of 558.51 g/mol. Its IUPAC name is 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine.

Molecular Properties

Compound Name3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine
PubChem CID141093980
Molecular FormulaC24H10N14O2S
Molecular Weight558.51 g/mol
Exact Mass558.08
IUPAC Name3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine
SMILESc1cc2noc(-c3c(-c4cc5ncoc5nn4)nn(-c4cc5nccc-5[nH]n4)c3-c3cc4ncsc4nn3)c2nn1
InChIInChI=1S/C24H10N14O2S/c1-3-25-12-7-17(32-29-10(1)12)38-21(14-6-16-24(35-31-14)41-9-27-16)18(22-20-11(37-40-22)2-4-28-33-20)19(36-38)13-5-15-23(34-30-13)39-8-26-15/h1-9,29H
InChIKeyGTGCKRVJZBTSFE-UHFFFAOYSA-N
XLogP3.36
TPSA201.68 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine with MolForge

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Related Compounds

5-[5-(4-pyrazin-2-ylpyridazin-3-yl)thiadiazol-4-yl]-4-[5-[4-[2-[2-[3-[2-[3-[2-[4-(1H-pyrazol-3-yl)-1H-imidazol-5-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1,2-thiazol-4-yl]-3-pyridinyl]pyrimidin-4-yl]-1H-triazol-5-yl]tetrazol-1-yl]oxadiazole
CID 123662643
2-[4-([1,2]oxazolo[4,3-d]pyrimidin-3-yl)-1-(1H-pyrrolo[3,2-d]pyrimidin-2-yl)-5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrazol-3-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 141087438
5H-cyclopenta[b]pyridine;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;oxadiazolo[4,5-b]pyridine;oxadiazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-b]pyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[2,3-b]pyridine;5H-pyrrolo[3,4-b]pyridine;thiadiazolo[4,5-b]pyridine;[1,2]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;bis([1,3]thiazolo[5,4-b]pyridine);thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
CID 157837374
1,5-dimethylimidazo[4,5-b]pyridine;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;3,5-dimethylimidazo[4,5-b]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;3,5-dimethyl-[1,2]oxazolo[5,4-b]pyridine;3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,6-dimethylpyrazolo[5,4-b]pyridine;3,5-dimethyl-2H-pyrazolo[3,4-b]pyridine;3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine;2,6-dimethyl-3H-pyrrolo[2,3-b]pyridine;2,5-dimethyl-[1,3]thiazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]thiazolo[5,4-b]pyridine;3,5-dimethyl-[1,2]thiazolo[5,4-b]pyridine;3,6-dimethyl-[1,2]thiazolo[5,4-b]pyridine;3,5-dimethyltriazolo[4,5-b]pyridine;3,6-dimethyltriazolo[4,5-b]pyridine
CID 158158810
6-tert-butyl-5-propan-2-ylfuro[3,2-b]pyridine;5,6-ditert-butyl-2,3-dihydro-1H-imidazo[4,5-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butyl-1H-imidazo[4,5-b]pyridine;5,6-ditert-butyl-[1,2]oxazolo[5,4-b]pyridine;5,6-ditert-butyl-[1,3]oxazolo[4,5-b]pyridine;5,6-ditert-butyl-[1,3]oxazolo[5,4-b]pyridine;5,6-ditert-butyl-1H-pyrazolo[3,4-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[2,3-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-[1,3]thiazolo[4,5-b]pyridine;5,6-ditert-butyl-[1,3]thiazolo[5,4-b]pyridine;5,6-ditert-butyl-2H-triazolo[4,5-b]pyridine
CID 158234700
methane;8-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,2-c]pyrimidine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 158395349
5H-cyclopenta[c]pyridazine;icosakis(2,2-dimethylpropane);furo[2,3-c]pyridazine;furo[3,2-c]pyridazine;oxadiazolo[4,5-c]pyridazine;oxadiazolo[5,4-c]pyridazine;[1,2]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[5,4-c]pyridazine;1H-pyrazolo[5,4-c]pyridazine;3H-pyrazolo[3,4-c]pyridazine;5H-pyrrolo[2,3-c]pyridazine;5H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;thiadiazolo[4,5-c]pyridazine;thiadiazolo[5,4-c]pyridazine;[1,2]thiazolo[4,5-c]pyridazine;[1,3]thiazolo[4,5-c]pyridazine;[1,3]thiazolo[5,4-c]pyridazine;thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine
CID 158663843
8-methylimidazo[1,2-a]pyridine;7-methyl-1H-indazole;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;4-methyl-1,8-naphthyridine;7-methyl-[1,2]oxazolo[4,3-b]pyridine;7-methyl-[1,2]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[5,4-b]pyridine;7-methylpyrazolo[1,5-a]pyridine;4-methylpyrido[3,4-d]pyrimidine;7-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[5,4-b]pyridine;3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 159631102
5H-cyclopenta[b]pyridine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[5,4-b]pyridine;5H-pyrrolo[2,3-b]pyrazine;6H-pyrrolo[3,4-b]pyrazine;pyrrolo[1,2-b]pyridazine;tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,4-c]pyridine;tris(2H-pyrrolo[2,3-c]pyridine);tris(2H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;[1,2]thiazolo[4,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,2-c]pyridine
CID 160583350
4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine
CID 160705968
4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;3H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine
CID 160882162
5H-cyclopenta[c]pyridazine;icosakis(2,2-dimethylpropane);furo[2,3-c]pyridazine;furo[3,2-c]pyridazine;oxadiazolo[4,5-c]pyridazine;oxadiazolo[5,4-c]pyridazine;[1,2]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[5,4-c]pyridazine;1H-pyrazolo[5,4-c]pyridazine;3H-pyrazolo[3,4-c]pyridazine;5H-pyrrolo[2,3-c]pyridazine;5H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;thiadiazolo[4,5-c]pyridazine;[1,2]thiazolo[4,5-c]pyridazine;[1,3]thiazolo[4,5-c]pyridazine;bis([1,3]thiazolo[5,4-c]pyridazine);thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine
CID 160921204

Frequently Asked Questions

What is the IUPAC name of 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine?
The IUPAC name of 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine (CID 141093980) is 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine.
What is the SMILES notation for 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine?
The canonical SMILES for 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine is c1cc2noc(-c3c(-c4cc5ncoc5nn4)nn(-c4cc5nccc-5[nH]n4)c3-c3cc4ncsc4nn3)c2nn1.
What is the InChIKey of 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine?
The InChIKey is GTGCKRVJZBTSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10N14O2S/c1-3-25-12-7-17(32-29-10(1)12)38-21(14-6-16-24(35-31-14)41-9-27-16)18(22-20-11(37-40-22)2-4-28-33-20)19(36-38)13-5-15-23(34-30-13)39-8-26-15/h1-9,29H.
What are the key properties of 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine?
3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine has a molecular weight of 558.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-([1,3]oxazolo[5,4-c]pyridazin-3-yl)-1-(1H-pyrrolo[3,2-c]pyridazin-3-yl)-5-([1,3]thiazolo[5,4-c]pyridazin-3-yl)pyrazol-4-yl]-[1,2]oxazolo[4,3-c]pyridazine is sourced from PubChem (CID 141093980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).