2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

C104H118F4N28O3 — CID 158950502

IUPAC2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1ccc(-c2cc(F)c(-c3cn[nH]c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)c(F)c2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CCNCC1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(C2=CC3CCC(C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2CCNCC2)nn1
InChIInChI=1S/2C23H28F2N6.C20H19N5O.C19H22N6O.C19H21N5O/c1-22(2)10-15(11-23(3,4)30-22)31(5)21-7-6-20(28-29-21)17-9-18(24)16(8-19(17)25)14-12-26-27-13-14;1-22(2)10-15(11-23(3,4)30-22)31(5)19-9-8-18(28-29-19)17-7-6-16(20(24)21(17)25)14-12-26-27-13-14;26-20-9-12(14-10-21-22-11-14)1-4-17(20)19-6-5-18(24-25-19)13-7-15-2-3-16(8-13)23-15;1-25(15-6-8-20-9-7-15)19-5-4-17(23-24-19)16-3-2-13(10-18(16)26)14-11-21-22-12-14;25-19-10-14(15-11-21-22-12-15)1-3-17(19)18-4-2-16(23-24-18)9-13-5-7-20-8-6-13/h2*6-9,12-13,15,30H,10-11H2,1-5H3,(H,26,27);1,4-7,9-11,15-16,23,26H,2-3,8H2,(H,21,22);2-5,10-12,15,20,26H,6-9H2,1H3,(H,21,22);1-4,10-13,20,25H,5-9H2,(H,21,22)
InChIKeyJLJAVCZKNBWCDK-UHFFFAOYSA-N
MW1884.27 g/mol
LogP17.47
Rot. Bonds19

About 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 158950502) has the molecular formula C104H118F4N28O3 and a molecular weight of 1884.27 g/mol. Its IUPAC name is 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID158950502
Molecular FormulaC104H118F4N28O3
Molecular Weight1884.27 g/mol
Exact Mass1882.99
IUPAC Name2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1ccc(-c2cc(F)c(-c3cn[nH]c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)c(F)c2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CCNCC1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(C2=CC3CCC(C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2CCNCC2)nn1
InChIInChI=1S/2C23H28F2N6.C20H19N5O.C19H22N6O.C19H21N5O/c1-22(2)10-15(11-23(3,4)30-22)31(5)21-7-6-20(28-29-21)17-9-18(24)16(8-19(17)25)14-12-26-27-13-14;1-22(2)10-15(11-23(3,4)30-22)31(5)19-9-8-18(28-29-19)17-7-6-16(20(24)21(17)25)14-12-26-27-13-14;26-20-9-12(14-10-21-22-11-14)1-4-17(20)19-6-5-18(24-25-19)13-7-15-2-3-16(8-13)23-15;1-25(15-6-8-20-9-7-15)19-5-4-17(23-24-19)16-3-2-13(10-18(16)26)14-11-21-22-12-14;25-19-10-14(15-11-21-22-12-15)1-3-17(19)18-4-2-16(23-24-18)9-13-5-7-20-8-6-13/h2*6-9,12-13,15,30H,10-11H2,1-5H3,(H,26,27);1,4-7,9-11,15-16,23,26H,2-3,8H2,(H,21,22);2-5,10-12,15,20,26H,6-9H2,1H3,(H,21,22);1-4,10-13,20,25H,5-9H2,(H,21,22)
InChIKeyJLJAVCZKNBWCDK-UHFFFAOYSA-N
XLogP17.47
TPSA402.86 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001884.27
LogP ≤ 517.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Analyze 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol with MolForge

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Related Compounds

2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464793
2-[6-[1-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)ethylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 153532659
2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridazin-3-yl]-3,4-difluoro-5-(1H-pyrazol-4-yl)phenol
CID 153532663
2-[6-[[1-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-fluoroethyl]amino]pyridazin-3-yl]-3,4-difluoro-5-(1H-pyrazol-4-yl)phenol
CID 153532688
2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridazin-3-yl]-3-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 153532696
2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-4-fluoropyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 153532700
2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-5-fluoropyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 153532713
2-[6-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 153532718
2-[6-[[1-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-fluoroethyl]amino]pyridazin-3-yl]-3-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 153532797
2-[6-[[1-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-fluoroethyl]amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 153532829
2-[6-[[1-(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-fluoroethyl]amino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 153532837
2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-(2-fluoroethyl)amino]pyridazin-3-yl]-3-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 154598735

Frequently Asked Questions

What is the IUPAC name of 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (CID 158950502) is 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is CN(c1ccc(-c2cc(F)c(-c3cn[nH]c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)c(F)c2F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CCNCC1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(C2=CC3CCC(C2)N3)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(CC2CCNCC2)nn1.
What is the InChIKey of 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is JLJAVCZKNBWCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H28F2N6.C20H19N5O.C19H22N6O.C19H21N5O/c1-22(2)10-15(11-23(3,4)30-22)31(5)21-7-6-20(28-29-21)17-9-18(24)16(8-19(17)25)14-12-26-27-13-14;1-22(2)10-15(11-23(3,4)30-22)31(5)19-9-8-18(28-29-19)17-7-6-16(20(24)21(17)25)14-12-26-27-13-14;26-20-9-12(14-10-21-22-11-14)1-4-17(20)19-6-5-18(24-25-19)13-7-15-2-3-16(8-13)23-15;1-25(15-6-8-20-9-7-15)19-5-4-17(23-24-19)16-3-2-13(10-18(16)26)14-11-21-22-12-14;25-19-10-14(15-11-21-22-12-15)1-3-17(19)18-4-2-16(23-24-18)9-13-5-7-20-8-6-13/h2*6-9,12-13,15,30H,10-11H2,1-5H3,(H,26,27);1,4-7,9-11,15-16,23,26H,2-3,8H2,(H,21,22);2-5,10-12,15,20,26H,6-9H2,1H3,(H,21,22);1-4,10-13,20,25H,5-9H2,(H,21,22).
What are the key properties of 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 1884.27 g/mol, XLogP of 17.47, 19 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-(piperidin-4-ylmethyl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 158950502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).