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

C63H71Cl6F3N18O6S — CID 91299562

About 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

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 91299562) has the molecular formula C63H71Cl6F3N18O6S and a molecular weight of 1478.16 g/mol. Its IUPAC name is 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 Name: 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: 91299562
• Molecular Formula: C63H71Cl6F3N18O6S
• Molecular Weight: 1478.16 g/mol
• Exact Mass: 1474.36
• IUPAC Name: 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
• SMILES: 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
• InChI: InChI=1S/C21H23Cl2FN6O.C20H21Cl2FN6O.C15H12Cl2FN5O.C7H15NO3S/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/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/t12-;11-;7-;/m111./s1
• InChIKey: ZCUSARXDSWGYIA-XAGGBMPHSA-N
• XLogP: 13.30
• TPSA: 309.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.16
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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 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 91299562) is 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 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 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.

What is the InChIKey of 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 ZCUSARXDSWGYIA-XAGGBMPHSA-N. The full InChI is InChI=1S/C21H23Cl2FN6O.C20H21Cl2FN6O.C15H12Cl2FN5O.C7H15NO3S/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/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/t12-;11-;7-;/m111./s1.

What are the key properties of 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?

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 1478.16 g/mol, XLogP of 13.30, 16 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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 91299562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).