2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol

C108H126N26O7 — CID 158603427

IUPAC2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1C[C@H]2CC[C@@H](C1)N2.Cn1cc(-c2ccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2C[C@H]3CC[C@@H](C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(OC2C[C@H]3CC[C@@H](C2)N3)nn1
InChIInChI=1S/C23H29N5O2.C23H29N5O.C21H24N6O.C21H23N5O.C20H21N5O2/c1-22(2)11-17(12-23(3,4)27-22)30-21-9-8-19(25-26-21)18-7-6-15(10-20(18)29)16-13-24-28(5)14-16;1-22(2)11-15(12-23(3,4)28-22)9-18-6-8-20(27-26-18)19-7-5-16(10-21(19)29)17-13-24-25-14-17;1-27(17-9-15-3-4-16(10-17)24-15)21-7-6-19(25-26-21)18-5-2-13(8-20(18)28)14-11-22-23-12-14;27-21-10-14(15-11-22-23-12-15)1-5-19(21)20-6-4-18(25-26-20)9-13-7-16-2-3-17(8-13)24-16;26-19-7-12(13-10-21-22-11-13)1-4-17(19)18-5-6-20(25-24-18)27-16-8-14-2-3-15(9-16)23-14/h6-10,13-14,17,27,29H,11-12H2,1-5H3;5-8,10,13-15,28-29H,9,11-12H2,1-4H3,(H,24,25);2,5-8,11-12,15-17,24,28H,3-4,9-10H2,1H3,(H,22,23);1,4-6,10-13,16-17,24,27H,2-3,7-9H2,(H,22,23);1,4-7,10-11,14-16,23,26H,2-3,8-9H2,(H,21,22)/t;;15-,16+,17?;13?,16-,17+;14-,15+,16?
InChIKeyHVXQBYIAAGHNIH-OUIPFZLQSA-N
MW1900.37 g/mol
LogP17.45
Rot. Bonds20

About 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol

2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol (PubChem CID 158603427) has the molecular formula C108H126N26O7 and a molecular weight of 1900.37 g/mol. Its IUPAC name is 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol
PubChem CID158603427
Molecular FormulaC108H126N26O7
Molecular Weight1900.37 g/mol
Exact Mass1899.03
IUPAC Name2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1C[C@H]2CC[C@@H](C1)N2.Cn1cc(-c2ccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2C[C@H]3CC[C@@H](C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(OC2C[C@H]3CC[C@@H](C2)N3)nn1
InChIInChI=1S/C23H29N5O2.C23H29N5O.C21H24N6O.C21H23N5O.C20H21N5O2/c1-22(2)11-17(12-23(3,4)27-22)30-21-9-8-19(25-26-21)18-7-6-15(10-20(18)29)16-13-24-28(5)14-16;1-22(2)11-15(12-23(3,4)28-22)9-18-6-8-20(27-26-18)19-7-5-16(10-21(19)29)17-13-24-25-14-17;1-27(17-9-15-3-4-16(10-17)24-15)21-7-6-19(25-26-21)18-5-2-13(8-20(18)28)14-11-22-23-12-14;27-21-10-14(15-11-22-23-12-15)1-5-19(21)20-6-4-18(25-26-20)9-13-7-16-2-3-17(8-13)24-16;26-19-7-12(13-10-21-22-11-13)1-4-17(19)18-5-6-20(25-24-18)27-16-8-14-2-3-15(9-16)23-14/h6-10,13-14,17,27,29H,11-12H2,1-5H3;5-8,10,13-15,28-29H,9,11-12H2,1-4H3,(H,24,25);2,5-8,11-12,15-17,24,28H,3-4,9-10H2,1H3,(H,22,23);1,4-6,10-13,16-17,24,27H,2-3,7-9H2,(H,22,23);1,4-7,10-11,14-16,23,26H,2-3,8-9H2,(H,21,22)/t;;15-,16+,17?;13?,16-,17+;14-,15+,16?
InChIKeyHVXQBYIAAGHNIH-OUIPFZLQSA-N
XLogP17.45
TPSA444.44 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001900.37
LogP ≤ 517.45
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol (CID 158603427) is 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol is CC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1C[C@H]2CC[C@@H](C1)N2.Cn1cc(-c2ccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2C[C@H]3CC[C@@H](C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(OC2C[C@H]3CC[C@@H](C2)N3)nn1.
What is the InChIKey of 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol?
The InChIKey is HVXQBYIAAGHNIH-OUIPFZLQSA-N. The full InChI is InChI=1S/C23H29N5O2.C23H29N5O.C21H24N6O.C21H23N5O.C20H21N5O2/c1-22(2)11-17(12-23(3,4)27-22)30-21-9-8-19(25-26-21)18-7-6-15(10-20(18)29)16-13-24-28(5)14-16;1-22(2)11-15(12-23(3,4)28-22)9-18-6-8-20(27-26-18)19-7-5-16(10-21(19)29)17-13-24-25-14-17;1-27(17-9-15-3-4-16(10-17)24-15)21-7-6-19(25-26-21)18-5-2-13(8-20(18)28)14-11-22-23-12-14;27-21-10-14(15-11-22-23-12-15)1-5-19(21)20-6-4-18(25-26-20)9-13-7-16-2-3-17(8-13)24-16;26-19-7-12(13-10-21-22-11-13)1-4-17(19)18-5-6-20(25-24-18)27-16-8-14-2-3-15(9-16)23-14/h6-10,13-14,17,27,29H,11-12H2,1-5H3;5-8,10,13-15,28-29H,9,11-12H2,1-4H3,(H,24,25);2,5-8,11-12,15-17,24,28H,3-4,9-10H2,1H3,(H,22,23);1,4-6,10-13,16-17,24,27H,2-3,7-9H2,(H,22,23);1,4-7,10-11,14-16,23,26H,2-3,8-9H2,(H,21,22)/t;;15-,16+,17?;13?,16-,17+;14-,15+,16?.
What are the key properties of 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol?
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol has a molecular weight of 1900.37 g/mol, XLogP of 17.45, 20 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-4-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)methyl]pyridazin-3-yl]phenol is sourced from PubChem (CID 158603427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).