chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate

C63H72Cl7F3N22O6S — CID 159522433

IUPACchloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate
SMILESCN1CCC(OS(C)(=O)=O)CC1.C[C@@H](Oc1nc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1nc(-c2cnn(C3CCN(C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.[H]/N=N/N=NCl
InChIInChI=1S/C21H23Cl2FN6O.C20H21Cl2FN6O.C15H12Cl2FN5O.C7H15NO3S.ClHN4/c1-12(18-15(22)3-4-16(24)19(18)23)31-21-20(25)26-10-17(28-21)13-9-27-30(11-13)14-5-7-29(2)8-6-14;1-11(17-14(21)2-3-15(23)18(17)22)30-20-19(24)26-9-16(28-20)12-8-27-29(10-12)13-4-6-25-7-5-13;1-7(12-9(16)2-3-10(18)13(12)17)24-15-14(19)20-6-11(23-15)8-4-21-22-5-8;1-8-5-3-7(4-6-8)11-12(2,9)10;1-3-5-4-2/h3-4,9-12,14H,5-8H2,1-2H3,(H2,25,26);2-3,8-11,13,25H,4-7H2,1H3,(H2,24,26);2-7H,1H3,(H2,19,20)(H,21,22);7H,3-6H2,1-2H3;2H/b;;;;4-2+,5-3?/t12-;11-;7-;;/m111../s1
InChIKeyMBYXXLSTHBVADH-UMYKONTMSA-N
MW1570.65 g/mol
LogP14.84
Rot. Bonds17

About chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate

chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate (PubChem CID 159522433) has the molecular formula C63H72Cl7F3N22O6S and a molecular weight of 1570.65 g/mol. Its IUPAC name is chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate.

Molecular Properties

Compound Namechloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate
PubChem CID159522433
Molecular FormulaC63H72Cl7F3N22O6S
Molecular Weight1570.65 g/mol
Exact Mass1566.35
IUPAC Namechloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate
SMILESCN1CCC(OS(C)(=O)=O)CC1.C[C@@H](Oc1nc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1nc(-c2cnn(C3CCN(C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.[H]/N=N/N=NCl
InChIInChI=1S/C21H23Cl2FN6O.C20H21Cl2FN6O.C15H12Cl2FN5O.C7H15NO3S.ClHN4/c1-12(18-15(22)3-4-16(24)19(18)23)31-21-20(25)26-10-17(28-21)13-9-27-30(11-13)14-5-7-29(2)8-6-14;1-11(17-14(21)2-3-15(23)18(17)22)30-20-19(24)26-9-16(28-20)12-8-27-29(10-12)13-4-6-25-7-5-13;1-7(12-9(16)2-3-10(18)13(12)17)24-15-14(19)20-6-11(23-15)8-4-21-22-5-8;1-8-5-3-7(4-6-8)11-12(2,9)10;1-3-5-4-2/h3-4,9-12,14H,5-8H2,1-2H3,(H2,25,26);2-3,8-11,13,25H,4-7H2,1H3,(H2,24,26);2-7H,1H3,(H2,19,20)(H,21,22);7H,3-6H2,1-2H3;2H/b;;;;4-2+,5-3?/t12-;11-;7-;;/m111../s1
InChIKeyMBYXXLSTHBVADH-UMYKONTMSA-N
XLogP14.84
TPSA370.22 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001570.65
LogP ≤ 514.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate?
The IUPAC name of chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate (CID 159522433) is chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate.
What is the SMILES notation for chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate?
The canonical SMILES for chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate is CN1CCC(OS(C)(=O)=O)CC1.C[C@@H](Oc1nc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1nc(-c2cnn(C3CCN(C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.[H]/N=N/N=NCl.
What is the InChIKey of chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate?
The InChIKey is MBYXXLSTHBVADH-UMYKONTMSA-N. The full InChI is InChI=1S/C21H23Cl2FN6O.C20H21Cl2FN6O.C15H12Cl2FN5O.C7H15NO3S.ClHN4/c1-12(18-15(22)3-4-16(24)19(18)23)31-21-20(25)26-10-17(28-21)13-9-27-30(11-13)14-5-7-29(2)8-6-14;1-11(17-14(21)2-3-15(23)18(17)22)30-20-19(24)26-9-16(28-20)12-8-27-29(10-12)13-4-6-25-7-5-13;1-7(12-9(16)2-3-10(18)13(12)17)24-15-14(19)20-6-11(23-15)8-4-21-22-5-8;1-8-5-3-7(4-6-8)11-12(2,9)10;1-3-5-4-2/h3-4,9-12,14H,5-8H2,1-2H3,(H2,25,26);2-3,8-11,13,25H,4-7H2,1H3,(H2,24,26);2-7H,1H3,(H2,19,20)(H,21,22);7H,3-6H2,1-2H3;2H/b;;;;4-2+,5-3?/t12-;11-;7-;;/m111../s1.
What are the key properties of chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate?
chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate has a molecular weight of 1570.65 g/mol, XLogP of 14.84, 17 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(diazenyl)diazene;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;(1-methylpiperidin-4-yl) methanesulfonate is sourced from PubChem (CID 159522433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).