2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol

C61H72N16O5 — CID 137361980

IUPAC2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCNCC2)nn1
InChIInChI=1S/2C22H27N5O2.C17H18N6O/c1-21(2)13-16(14-22(3,4)26-21)29-20-9-8-18(24-25-20)17-7-6-15(12-19(17)28)27-11-5-10-23-27;1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15;24-16-12-13(23-9-1-6-19-23)2-3-14(16)15-4-5-17(21-20-15)22-10-7-18-8-11-22/h5-12,16,26,28H,13-14H2,1-4H3;5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24);1-6,9,12,18,24H,7-8,10-11H2
InChIKeyLBIPWGZDCDNNMT-UHFFFAOYSA-N
MW1109.35 g/mol
LogP9.09
Rot. Bonds11

About 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol

2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol (PubChem CID 137361980) has the molecular formula C61H72N16O5 and a molecular weight of 1109.35 g/mol. Its IUPAC name is 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
PubChem CID137361980
Molecular FormulaC61H72N16O5
Molecular Weight1109.35 g/mol
Exact Mass1108.59
IUPAC Name2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCNCC2)nn1
InChIInChI=1S/2C22H27N5O2.C17H18N6O/c1-21(2)13-16(14-22(3,4)26-21)29-20-9-8-18(24-25-20)17-7-6-15(12-19(17)28)27-11-5-10-23-27;1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15;24-16-12-13(23-9-1-6-19-23)2-3-14(16)15-4-5-17(21-20-15)22-10-7-18-8-11-22/h5-12,16,26,28H,13-14H2,1-4H3;5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24);1-6,9,12,18,24H,7-8,10-11H2
InChIKeyLBIPWGZDCDNNMT-UHFFFAOYSA-N
XLogP9.09
TPSA260.14 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001109.35
LogP ≤ 59.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The IUPAC name of 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol (CID 137361980) is 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol.
What is the SMILES notation for 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The canonical SMILES for 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol is CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCNCC2)nn1.
What is the InChIKey of 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The InChIKey is LBIPWGZDCDNNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N5O2.C17H18N6O/c1-21(2)13-16(14-22(3,4)26-21)29-20-9-8-18(24-25-20)17-7-6-15(12-19(17)28)27-11-5-10-23-27;1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15;24-16-12-13(23-9-1-6-19-23)2-3-14(16)15-4-5-17(21-20-15)22-10-7-18-8-11-22/h5-12,16,26,28H,13-14H2,1-4H3;5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24);1-6,9,12,18,24H,7-8,10-11H2.
What are the key properties of 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol has a molecular weight of 1109.35 g/mol, XLogP of 9.09, 11 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperazin-1-ylpyridazin-3-yl)-5-pyrazol-1-ylphenol;5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol;5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol is sourced from PubChem (CID 137361980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).