3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C126H159FN26O9 — CID 157369049

IUPAC3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCN(c1ccc(-c2c(O)cc(-c3cnn(C)c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cc[nH]c(=O)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3ccc(=O)[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1ccc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.COc1cncc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)c1
InChIInChI=1S/2C26H33N5O2.2C25H31N5O2.C24H31FN6O/c1-25(2)14-19(15-26(3,4)30-25)31(5)23-11-10-21(28-29-23)20-9-7-17(13-22(20)32)18-8-12-24(33-6)27-16-18;1-25(2)13-19(14-26(3,4)30-25)31(5)24-10-9-22(28-29-24)21-8-7-17(12-23(21)32)18-11-20(33-6)16-27-15-18;1-24(2)13-18(14-25(3,4)29-24)30(5)22-10-9-20(27-28-22)19-8-6-16(12-21(19)31)17-7-11-23(32)26-15-17;1-24(2)14-18(15-25(3,4)29-24)30(5)22-9-8-20(27-28-22)19-7-6-16(12-21(19)31)17-10-11-26-23(32)13-17;1-23(2)11-17(12-24(3,4)29-23)31(6)21-8-7-19(27-28-21)22-18(25)9-15(10-20(22)32)16-13-26-30(5)14-16/h7-13,16,19,30,32H,14-15H2,1-6H3;7-12,15-16,19,30,32H,13-14H2,1-6H3;6-12,15,18,29,31H,13-14H2,1-5H3,(H,26,32);6-13,18,29,31H,14-15H2,1-5H3,(H,26,32);7-10,13-14,17,29,32H,11-12H2,1-6H3
InChIKeyBJNNSGHUCCDYOG-UHFFFAOYSA-N
MW2200.83 g/mol
LogP21.36
Rot. Bonds22

About 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 157369049) has the molecular formula C126H159FN26O9 and a molecular weight of 2200.83 g/mol. Its IUPAC name is 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID157369049
Molecular FormulaC126H159FN26O9
Molecular Weight2200.83 g/mol
Exact Mass2199.28
IUPAC Name3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCN(c1ccc(-c2c(O)cc(-c3cnn(C)c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cc[nH]c(=O)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3ccc(=O)[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1ccc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.COc1cncc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)c1
InChIInChI=1S/2C26H33N5O2.2C25H31N5O2.C24H31FN6O/c1-25(2)14-19(15-26(3,4)30-25)31(5)23-11-10-21(28-29-23)20-9-7-17(13-22(20)32)18-8-12-24(33-6)27-16-18;1-25(2)13-19(14-26(3,4)30-25)31(5)24-10-9-22(28-29-24)21-8-7-17(12-23(21)32)18-11-20(33-6)16-27-15-18;1-24(2)13-18(14-25(3,4)29-24)30(5)22-10-9-20(27-28-22)19-8-6-16(12-21(19)31)17-7-11-23(32)26-15-17;1-24(2)14-18(15-25(3,4)29-24)30(5)22-9-8-20(27-28-22)19-7-6-16(12-21(19)31)17-10-11-26-23(32)13-17;1-23(2)11-17(12-24(3,4)29-23)31(6)21-8-7-19(27-28-21)22-18(25)9-15(10-20(22)32)16-13-26-30(5)14-16/h7-13,16,19,30,32H,14-15H2,1-6H3;7-12,15-16,19,30,32H,13-14H2,1-6H3;6-12,15,18,29,31H,13-14H2,1-5H3,(H,26,32);6-13,18,29,31H,14-15H2,1-5H3,(H,26,32);7-10,13-14,17,29,32H,11-12H2,1-6H3
InChIKeyBJNNSGHUCCDYOG-UHFFFAOYSA-N
XLogP21.36
TPSA434.18 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002200.83
LogP ≤ 521.36
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 157369049) is 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CN(c1ccc(-c2c(O)cc(-c3cnn(C)c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cc[nH]c(=O)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3ccc(=O)[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1ccc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.COc1cncc(-c2ccc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)c1.
What is the InChIKey of 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is BJNNSGHUCCDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H33N5O2.2C25H31N5O2.C24H31FN6O/c1-25(2)14-19(15-26(3,4)30-25)31(5)23-11-10-21(28-29-23)20-9-7-17(13-22(20)32)18-8-12-24(33-6)27-16-18;1-25(2)13-19(14-26(3,4)30-25)31(5)24-10-9-22(28-29-24)21-8-7-17(12-23(21)32)18-11-20(33-6)16-27-15-18;1-24(2)13-18(14-25(3,4)29-24)30(5)22-10-9-20(27-28-22)19-8-6-16(12-21(19)31)17-7-11-23(32)26-15-17;1-24(2)14-18(15-25(3,4)29-24)30(5)22-9-8-20(27-28-22)19-7-6-16(12-21(19)31)17-10-11-26-23(32)13-17;1-23(2)11-17(12-24(3,4)29-23)31(6)21-8-7-19(27-28-21)22-18(25)9-15(10-20(22)32)16-13-26-30(5)14-16/h7-13,16,19,30,32H,14-15H2,1-6H3;7-12,15-16,19,30,32H,13-14H2,1-6H3;6-12,15,18,29,31H,13-14H2,1-5H3,(H,26,32);6-13,18,29,31H,14-15H2,1-5H3,(H,26,32);7-10,13-14,17,29,32H,11-12H2,1-6H3.
What are the key properties of 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 2200.83 g/mol, XLogP of 21.36, 22 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one;5-(5-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-(6-methoxy-3-pyridinyl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 157369049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).