2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol

C70H88F3N17O2 — CID 158836015

IUPAC2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol
SMILESCC1(C)CC(Oc2cnc(-c3ccc(-c4cn[nH]c4)c(F)c3F)cn2)CC(C)(C)N1.Cc1[nH]ncc1-c1ccc(-c2cnc(N(C)C3CC(C)(C)NC(C)(C)C3)cn2)c(O)c1.Cc1cc(-c2cnc(N(C)C3CC(C)(C)NC(C)(C)C3)cn2)c(F)cc1-c1cn[nH]c1
InChIInChI=1S/C24H31FN6.C24H32N6O.C22H25F2N5O/c1-15-7-19(20(25)8-18(15)16-11-28-29-12-16)21-13-27-22(14-26-21)31(6)17-9-23(2,3)30-24(4,5)10-17;1-15-19(12-27-28-15)16-7-8-18(21(31)9-16)20-13-26-22(14-25-20)30(6)17-10-23(2,3)29-24(4,5)11-17;1-21(2)7-14(8-22(3,4)29-21)30-18-12-25-17(11-26-18)16-6-5-15(19(23)20(16)24)13-9-27-28-10-13/h7-8,11-14,17,30H,9-10H2,1-6H3,(H,28,29);7-9,12-14,17,29,31H,10-11H2,1-6H3,(H,27,28);5-6,9-12,14,29H,7-8H2,1-4H3,(H,27,28)
InChIKeyIXQLTEWMUOMATB-UHFFFAOYSA-N
MW1256.58 g/mol
LogP13.52
Rot. Bonds12

About 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol

2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol (PubChem CID 158836015) has the molecular formula C70H88F3N17O2 and a molecular weight of 1256.58 g/mol. Its IUPAC name is 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol
PubChem CID158836015
Molecular FormulaC70H88F3N17O2
Molecular Weight1256.58 g/mol
Exact Mass1255.73
IUPAC Name2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol
SMILESCC1(C)CC(Oc2cnc(-c3ccc(-c4cn[nH]c4)c(F)c3F)cn2)CC(C)(C)N1.Cc1[nH]ncc1-c1ccc(-c2cnc(N(C)C3CC(C)(C)NC(C)(C)C3)cn2)c(O)c1.Cc1cc(-c2cnc(N(C)C3CC(C)(C)NC(C)(C)C3)cn2)c(F)cc1-c1cn[nH]c1
InChIInChI=1S/C24H31FN6.C24H32N6O.C22H25F2N5O/c1-15-7-19(20(25)8-18(15)16-11-28-29-12-16)21-13-27-22(14-26-21)31(6)17-9-23(2,3)30-24(4,5)10-17;1-15-19(12-27-28-15)16-7-8-18(21(31)9-16)20-13-26-22(14-25-20)30(6)17-10-23(2,3)29-24(4,5)11-17;1-21(2)7-14(8-22(3,4)29-21)30-18-12-25-17(11-26-18)16-6-5-15(19(23)20(16)24)13-9-27-28-10-13/h7-8,11-14,17,30H,9-10H2,1-6H3,(H,28,29);7-9,12-14,17,29,31H,10-11H2,1-6H3,(H,27,28);5-6,9-12,14,29H,7-8H2,1-4H3,(H,27,28)
InChIKeyIXQLTEWMUOMATB-UHFFFAOYSA-N
XLogP13.52
TPSA235.41 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001256.58
LogP ≤ 513.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol?
The IUPAC name of 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol (CID 158836015) is 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol.
What is the SMILES notation for 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol?
The canonical SMILES for 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol is CC1(C)CC(Oc2cnc(-c3ccc(-c4cn[nH]c4)c(F)c3F)cn2)CC(C)(C)N1.Cc1[nH]ncc1-c1ccc(-c2cnc(N(C)C3CC(C)(C)NC(C)(C)C3)cn2)c(O)c1.Cc1cc(-c2cnc(N(C)C3CC(C)(C)NC(C)(C)C3)cn2)c(F)cc1-c1cn[nH]c1.
What is the InChIKey of 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol?
The InChIKey is IXQLTEWMUOMATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6.C24H32N6O.C22H25F2N5O/c1-15-7-19(20(25)8-18(15)16-11-28-29-12-16)21-13-27-22(14-26-21)31(6)17-9-23(2,3)30-24(4,5)10-17;1-15-19(12-27-28-15)16-7-8-18(21(31)9-16)20-13-26-22(14-25-20)30(6)17-10-23(2,3)29-24(4,5)11-17;1-21(2)7-14(8-22(3,4)29-21)30-18-12-25-17(11-26-18)16-6-5-15(19(23)20(16)24)13-9-27-28-10-13/h7-8,11-14,17,30H,9-10H2,1-6H3,(H,28,29);7-9,12-14,17,29,31H,10-11H2,1-6H3,(H,27,28);5-6,9-12,14,29H,7-8H2,1-4H3,(H,27,28).
What are the key properties of 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol?
2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol has a molecular weight of 1256.58 g/mol, XLogP of 13.52, 12 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine;5-[2-fluoro-5-methyl-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol is sourced from PubChem (CID 158836015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).