3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine

C80H98Cl8N18O8 — CID 159555523

About 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine

3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine (PubChem CID 159555523) has the molecular formula C80H98Cl8N18O8 and a molecular weight of 1723.41 g/mol. Its IUPAC name is 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine.

Molecular Properties

• Compound Name: 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine
• PubChem CID: 159555523
• Molecular Formula: C80H98Cl8N18O8
• Molecular Weight: 1723.41 g/mol
• Exact Mass: 1718.53
• IUPAC Name: 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine
• SMILES: CCC1(C)CCN(c2cnc(C(=O)OC)c(Cl)n2)CC1.CCC1(C)CCN(c2cnc3c(=O)[nH]n(Cc4ccc(OC)cc4)c3n2)CC1.CCC1(C)CCN(c2cnc3c(Oc4ccnc(Cl)c4Cl)nn(Cc4ccc(OC)cc4)c3n2)CC1.CCC1(C)CCNCC1.COC(=O)c1ncc(Cl)nc1Cl.Clc1ccnc(Cl)c1Cl
• InChI: InChI=1S/C26H28Cl2N6O2.C21H27N5O2.C14H20ClN3O2.C8H17N.C6H4Cl2N2O2.C5H2Cl3N/c1-4-26(2)10-13-33(14-11-26)20-15-30-22-24(31-20)34(16-17-5-7-18(35-3)8-6-17)32-25(22)36-19-9-12-29-23(28)21(19)27;1-4-21(2)9-11-25(12-10-21)17-13-22-18-19(23-17)26(24-20(18)27)14-15-5-7-16(28-3)8-6-15;1-4-14(2)5-7-18(8-6-14)10-9-16-11(12(15)17-10)13(19)20-3;1-3-8(2)4-6-9-7-5-8;1-12-6(11)4-5(8)10-3(7)2-9-4;6-3-1-2-9-5(8)4(3)7/h5-9,12,15H,4,10-11,13-14,16H2,1-3H3;5-8,13H,4,9-12,14H2,1-3H3,(H,24,27);9H,4-8H2,1-3H3;9H,3-7H2,1-2H3;2H,1H3;1-2H
• InChIKey: MFYCBHGTHCWGJS-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 286.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1723.41
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine?

The IUPAC name of 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine (CID 159555523) is 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine.

What is the SMILES notation for 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine?

The canonical SMILES for 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine is CCC1(C)CCN(c2cnc(C(=O)OC)c(Cl)n2)CC1.CCC1(C)CCN(c2cnc3c(=O)[nH]n(Cc4ccc(OC)cc4)c3n2)CC1.CCC1(C)CCN(c2cnc3c(Oc4ccnc(Cl)c4Cl)nn(Cc4ccc(OC)cc4)c3n2)CC1.CCC1(C)CCNCC1.COC(=O)c1ncc(Cl)nc1Cl.Clc1ccnc(Cl)c1Cl.

What is the InChIKey of 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine?

The InChIKey is MFYCBHGTHCWGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N6O2.C21H27N5O2.C14H20ClN3O2.C8H17N.C6H4Cl2N2O2.C5H2Cl3N/c1-4-26(2)10-13-33(14-11-26)20-15-30-22-24(31-20)34(16-17-5-7-18(35-3)8-6-17)32-25(22)36-19-9-12-29-23(28)21(19)27;1-4-21(2)9-11-25(12-10-21)17-13-22-18-19(23-17)26(24-20(18)27)14-15-5-7-16(28-3)8-6-15;1-4-14(2)5-7-18(8-6-14)10-9-16-11(12(15)17-10)13(19)20-3;1-3-8(2)4-6-9-7-5-8;1-12-6(11)4-5(8)10-3(7)2-9-4;6-3-1-2-9-5(8)4(3)7/h5-9,12,15H,4,10-11,13-14,16H2,1-3H3;5-8,13H,4,9-12,14H2,1-3H3,(H,24,27);9H,4-8H2,1-3H3;9H,3-7H2,1-2H3;2H,1H3;1-2H.

What are the key properties of 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine?

3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine has a molecular weight of 1723.41 g/mol, XLogP of 18.92, 17 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,3-dichloro-4-pyridinyl)oxy]-6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;4-ethyl-4-methylpiperidine;6-(4-ethyl-4-methylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;methyl 3-chloro-5-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxylate;methyl 3,5-dichloropyrazine-2-carboxylate;2,3,4-trichloropyridine is sourced from PubChem (CID 159555523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).