6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C89H113F4N23O3S2 — CID 158096173

IUPAC6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3C(F)F)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2C(F)F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(Oc2ccc(-c3cn[nH]c3)cc2)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(Oc2cccc(-c3cn[nH]c3)c2)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30F2N6.C23H27F2N5O.2C21H28N6OS/c1-23(2)11-17(12-24(3,4)31-23)32(5)21-9-8-20(29-30-21)18-7-6-15(10-19(18)22(25)26)16-13-27-28-14-16;1-22(2)10-16(11-23(3,4)30-22)31-20-8-7-19(28-29-20)17-6-5-14(9-18(17)21(24)25)15-12-26-27-13-15;1-20(2)10-16(11-21(3,4)26-20)27(5)18-24-25-19(29-18)28-17-8-6-14(7-9-17)15-12-22-23-13-15;1-20(2)10-16(11-21(3,4)26-20)27(5)18-24-25-19(29-18)28-17-8-6-7-14(9-17)15-12-22-23-13-15/h6-10,13-14,17,22,31H,11-12H2,1-5H3,(H,27,28);5-9,12-13,16,21,30H,10-11H2,1-4H3,(H,26,27);2*6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,23)
InChIKeyFORRLANIIHMSKZ-UHFFFAOYSA-N
MW1693.17 g/mol
LogP19.31
Rot. Bonds20

About 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 158096173) has the molecular formula C89H113F4N23O3S2 and a molecular weight of 1693.17 g/mol. Its IUPAC name is 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID158096173
Molecular FormulaC89H113F4N23O3S2
Molecular Weight1693.17 g/mol
Exact Mass1691.88
IUPAC Name6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3C(F)F)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2C(F)F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(Oc2ccc(-c3cn[nH]c3)cc2)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(Oc2cccc(-c3cn[nH]c3)c2)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30F2N6.C23H27F2N5O.2C21H28N6OS/c1-23(2)11-17(12-24(3,4)31-23)32(5)21-9-8-20(29-30-21)18-7-6-15(10-19(18)22(25)26)16-13-27-28-14-16;1-22(2)10-16(11-23(3,4)30-22)31-20-8-7-19(28-29-20)17-6-5-14(9-18(17)21(24)25)15-12-26-27-13-15;1-20(2)10-16(11-21(3,4)26-20)27(5)18-24-25-19(29-18)28-17-8-6-14(7-9-17)15-12-22-23-13-15;1-20(2)10-16(11-21(3,4)26-20)27(5)18-24-25-19(29-18)28-17-8-6-7-14(9-17)15-12-22-23-13-15/h6-10,13-14,17,22,31H,11-12H2,1-5H3,(H,27,28);5-9,12-13,16,21,30H,10-11H2,1-4H3,(H,26,27);2*6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,23)
InChIKeyFORRLANIIHMSKZ-UHFFFAOYSA-N
XLogP19.31
TPSA303.37 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001693.17
LogP ≤ 519.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 158096173) is 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3C(F)F)nn2)CC(C)(C)N1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2C(F)F)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(Oc2ccc(-c3cn[nH]c3)cc2)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(Oc2cccc(-c3cn[nH]c3)c2)s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FORRLANIIHMSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6.C23H27F2N5O.2C21H28N6OS/c1-23(2)11-17(12-24(3,4)31-23)32(5)21-9-8-20(29-30-21)18-7-6-15(10-19(18)22(25)26)16-13-27-28-14-16;1-22(2)10-16(11-23(3,4)30-22)31-20-8-7-19(28-29-20)17-6-5-14(9-18(17)21(24)25)15-12-26-27-13-15;1-20(2)10-16(11-21(3,4)26-20)27(5)18-24-25-19(29-18)28-17-8-6-14(7-9-17)15-12-22-23-13-15;1-20(2)10-16(11-21(3,4)26-20)27(5)18-24-25-19(29-18)28-17-8-6-7-14(9-17)15-12-22-23-13-15/h6-10,13-14,17,22,31H,11-12H2,1-5H3,(H,27,28);5-9,12-13,16,21,30H,10-11H2,1-4H3,(H,26,27);2*6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,23).
What are the key properties of 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 1693.17 g/mol, XLogP of 19.31, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;3-[2-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[4-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 158096173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).