2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol

C69H71N17O4S — CID 160778211

IUPAC2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESC.CC1(C)CC(n2ccc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.Oc1cc(-c2cn[nH]c2)ccc1-c1cc2[nH]cc(C3=CC4CCC(C3)N4)c2nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1cc2scc(C3=CC4COCC(C3)N4)c2nn1
InChIInChI=1S/C24H28N6O.C22H20N6O.C22H19N5O2S.CH4/c1-23(2)11-18(12-24(3,4)29-23)30-8-7-16-9-20(27-28-22(16)30)19-6-5-15(10-21(19)31)17-13-25-26-14-17;29-21-7-12(14-9-24-25-10-14)1-4-17(21)19-8-20-22(28-27-19)18(11-23-20)13-5-15-2-3-16(6-13)26-15;28-20-5-12(14-7-23-24-8-14)1-2-17(20)19-6-21-22(27-26-19)18(11-30-21)13-3-15-9-29-10-16(4-13)25-15;/h5-10,13-14,18,29,31H,11-12H2,1-4H3,(H,25,26);1,4-5,7-11,15-16,23,26,29H,2-3,6H2,(H,24,25);1-3,5-8,11,15-16,25,28H,4,9-10H2,(H,23,24);1H4
InChIKeySAFQHMHQBVTKAH-UHFFFAOYSA-N
MW1234.51 g/mol
LogP12.54
Rot. Bonds9

About 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol

2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol (PubChem CID 160778211) has the molecular formula C69H71N17O4S and a molecular weight of 1234.51 g/mol. Its IUPAC name is 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol
PubChem CID160778211
Molecular FormulaC69H71N17O4S
Molecular Weight1234.51 g/mol
Exact Mass1233.56
IUPAC Name2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESC.CC1(C)CC(n2ccc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.Oc1cc(-c2cn[nH]c2)ccc1-c1cc2[nH]cc(C3=CC4CCC(C3)N4)c2nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1cc2scc(C3=CC4COCC(C3)N4)c2nn1
InChIInChI=1S/C24H28N6O.C22H20N6O.C22H19N5O2S.CH4/c1-23(2)11-18(12-24(3,4)29-23)30-8-7-16-9-20(27-28-22(16)30)19-6-5-15(10-21(19)31)17-13-25-26-14-17;29-21-7-12(14-9-24-25-10-14)1-4-17(21)19-8-20-22(28-27-19)18(11-23-20)13-5-15-2-3-16(6-13)26-15;28-20-5-12(14-7-23-24-8-14)1-2-17(20)19-6-21-22(27-26-19)18(11-30-21)13-3-15-9-29-10-16(4-13)25-15;/h5-10,13-14,18,29,31H,11-12H2,1-4H3,(H,25,26);1,4-5,7-11,15-16,23,26,29H,2-3,6H2,(H,24,25);1-3,5-8,11,15-16,25,28H,4,9-10H2,(H,23,24);1H4
InChIKeySAFQHMHQBVTKAH-UHFFFAOYSA-N
XLogP12.54
TPSA290.11 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001234.51
LogP ≤ 512.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol with MolForge

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Related Compounds

5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]pyridin-3-ol;5-(1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]pyridin-3-ol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenol
CID 160256572
3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 157091024
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(2,6-dimethylpiperidin-4-yl)oxy-4-fluoro-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157241689
5-(3-aminopyrazol-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(4-aminopyrazol-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157265879
3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazine;2-[6-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157450231
3-[2,5-difluoro-4-(5-fluoro-1H-pyrazol-4-yl)phenyl]-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridazin-6-amine;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol;5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
CID 157514750
2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(2-methyl-1,3-thiazol-5-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1-methyl-1,2,4-triazol-3-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol
CID 157571873
5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-methylindazole-7-carbonitrile;2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157654078
2-(1-piperidin-4-ylpyrazolo[3,4-b]pyrazin-5-yl)-5-(1H-pyrazol-4-yl)phenol;2-(1-piperidin-4-ylpyrazolo[3,4-c]pyridazin-5-yl)-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]phenol
CID 157664200
2-(7-piperidin-4-yl-5H-pyrrolo[3,2-c]pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol
CID 157682328
5-(5-bromo-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methyltriazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]pyridin-3-ol
CID 157695162
6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine;N-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-b]pyrazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157829807

Frequently Asked Questions

What is the IUPAC name of 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol (CID 160778211) is 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol is C.CC1(C)CC(n2ccc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.Oc1cc(-c2cn[nH]c2)ccc1-c1cc2[nH]cc(C3=CC4CCC(C3)N4)c2nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1cc2scc(C3=CC4COCC(C3)N4)c2nn1.
What is the InChIKey of 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is SAFQHMHQBVTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O.C22H20N6O.C22H19N5O2S.CH4/c1-23(2)11-18(12-24(3,4)29-23)30-8-7-16-9-20(27-28-22(16)30)19-6-5-15(10-21(19)31)17-13-25-26-14-17;29-21-7-12(14-9-24-25-10-14)1-4-17(21)19-8-20-22(28-27-19)18(11-23-20)13-5-15-2-3-16(6-13)26-15;28-20-5-12(14-7-23-24-8-14)1-2-17(20)19-6-21-22(27-26-19)18(11-30-21)13-3-15-9-29-10-16(4-13)25-15;/h5-10,13-14,18,29,31H,11-12H2,1-4H3,(H,25,26);1,4-5,7-11,15-16,23,26,29H,2-3,6H2,(H,24,25);1-3,5-8,11,15-16,25,28H,4,9-10H2,(H,23,24);1H4.
What are the key properties of 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol?
2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 1234.51 g/mol, XLogP of 12.54, 9 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5H-pyrrolo[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;methane;2-[7-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)thieno[3,2-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 160778211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).