3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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

C120H136FN29O10 — CID 159877146

IUPAC3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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
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.CN1C(C)(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC1(C)C.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2F)nn1.Oc1cc2ccccc2cc1-c1ccc(CC2CNC2)nn1
InChIInChI=1S/C23H29N5O2.2C22H27N5O2.C18H18FN5O2.C18H17N3O.C17H18N6O/c1-22(2)14-17(15-23(3,4)27(22)5)30-21-10-9-19(25-26-21)18-8-7-16(13-20(18)29)28-12-6-11-24-28;1-21(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;19-14-11-20-8-6-17(14)26-18-5-4-15(22-23-18)13-3-2-12(10-16(13)25)24-9-1-7-21-24;22-18-9-14-4-2-1-3-13(14)8-16(18)17-6-5-15(20-21-17)7-12-10-19-11-12;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/h6-13,17,29H,14-15H2,1-5H3;5-12,16,26,28H,13-14H2,1-4H3;5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24);1-5,7,9-10,14,17,20,25H,6,8,11H2;1-6,8-9,12,19,22H,7,10-11H2;1-6,9,12,18,24H,7-8,10-11H2
InChIKeyNTAZAWFNTADPLC-UHFFFAOYSA-N
MW2163.60 g/mol
LogP18.04
Rot. Bonds22

About 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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

3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 159877146) has the molecular formula C120H136FN29O10 and a molecular weight of 2163.60 g/mol. Its IUPAC name is 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 Name3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 CID159877146
Molecular FormulaC120H136FN29O10
Molecular Weight2163.60 g/mol
Exact Mass2162.10
IUPAC Name3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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
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.CN1C(C)(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC1(C)C.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2F)nn1.Oc1cc2ccccc2cc1-c1ccc(CC2CNC2)nn1
InChIInChI=1S/C23H29N5O2.2C22H27N5O2.C18H18FN5O2.C18H17N3O.C17H18N6O/c1-22(2)14-17(15-23(3,4)27(22)5)30-21-10-9-19(25-26-21)18-8-7-16(13-20(18)29)28-12-6-11-24-28;1-21(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;19-14-11-20-8-6-17(14)26-18-5-4-15(22-23-18)13-3-2-12(10-16(13)25)24-9-1-7-21-24;22-18-9-14-4-2-1-3-13(14)8-16(18)17-6-5-15(20-21-17)7-12-10-19-11-12;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/h6-13,17,29H,14-15H2,1-5H3;5-12,16,26,28H,13-14H2,1-4H3;5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24);1-5,7,9-10,14,17,20,25H,6,8,11H2;1-6,8-9,12,19,22H,7,10-11H2;1-6,9,12,18,24H,7-8,10-11H2
InChIKeyNTAZAWFNTADPLC-UHFFFAOYSA-N
XLogP18.04
TPSA479.57 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds22
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002163.60
LogP ≤ 518.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 159877146) is 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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.CN1C(C)(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC1(C)C.Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCNCC2)nn1.Oc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2F)nn1.Oc1cc2ccccc2cc1-c1ccc(CC2CNC2)nn1.
What is the InChIKey of 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 NTAZAWFNTADPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2.2C22H27N5O2.C18H18FN5O2.C18H17N3O.C17H18N6O/c1-22(2)14-17(15-23(3,4)27(22)5)30-21-10-9-19(25-26-21)18-8-7-16(13-20(18)29)28-12-6-11-24-28;1-21(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;19-14-11-20-8-6-17(14)26-18-5-4-15(22-23-18)13-3-2-12(10-16(13)25)24-9-1-7-21-24;22-18-9-14-4-2-1-3-13(14)8-16(18)17-6-5-15(20-21-17)7-12-10-19-11-12;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/h6-13,17,29H,14-15H2,1-5H3;5-12,16,26,28H,13-14H2,1-4H3;5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24);1-5,7,9-10,14,17,20,25H,6,8,11H2;1-6,8-9,12,19,22H,7,10-11H2;1-6,9,12,18,24H,7-8,10-11H2.
What are the key properties of 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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?
3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 2163.60 g/mol, XLogP of 18.04, 22 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(azetidin-3-ylmethyl)pyridazin-3-yl]naphthalen-2-ol;2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol;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 159877146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).