3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate

C88H105Cl10F5N20O7 — CID 158892995

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate (PubChem CID 158892995) has the molecular formula C88H105Cl10F5N20O7 and a molecular weight of 2004.46 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate.

Molecular Properties

• Compound Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate
• PubChem CID: 158892995
• Molecular Formula: C88H105Cl10F5N20O7
• Molecular Weight: 2004.46 g/mol
• Exact Mass: 1998.53
• IUPAC Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate
• SMILES: CC(OC1CC(N2CCC=N2)CNC1N)c1c(Cl)ccc(F)c1Cl.CC(OC1CC(n2ncc3ccccc32)CNC1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2ccn[nH]2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC1CCN(C2CNC(N)C(OC(C)c3c(Cl)ccc(F)c3Cl)C2)N1.CCOC(=O)C1C=NN(C2CNC(N)C(OC(C)c3c(Cl)ccc(F)c3Cl)C2)C1
• InChI: InChI=1S/C20H21Cl2FN4O.C19H25Cl2FN4O3.C17H25Cl2FN4O.C16H21Cl2FN4O.C16H13Cl2FN4O/c1-11(18-14(21)6-7-15(23)19(18)22)28-17-8-13(10-25-20(17)24)27-16-5-3-2-4-12(16)9-26-27;1-3-28-19(27)11-7-25-26(9-11)12-6-15(18(23)24-8-12)29-10(2)16-13(20)4-5-14(22)17(16)21;1-9-5-6-24(23-9)11-7-14(17(21)22-8-11)25-10(2)15-12(18)3-4-13(20)16(15)19;1-9(14-11(17)3-4-12(19)15(14)18)24-13-7-10(8-21-16(13)20)23-6-2-5-22-23;1-8(14-10(17)2-3-11(19)15(14)18)24-13-6-9(7-21-16(13)20)12-4-5-22-23-12/h2-7,9,11,13,17,20,25H,8,10,24H2,1H3;4-5,7,10-12,15,18,24H,3,6,8-9,23H2,1-2H3;3-4,9-11,14,17,22-23H,5-8,21H2,1-2H3;3-5,9-10,13,16,21H,2,6-8,20H2,1H3;2-8H,1H3,(H2,20,21)(H,22,23)
• InChIKey: JELXOOUBNZDCFS-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 356.53 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2004.46
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate?

The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate (CID 158892995) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate.

What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate?

The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate is CC(OC1CC(N2CCC=N2)CNC1N)c1c(Cl)ccc(F)c1Cl.CC(OC1CC(n2ncc3ccccc32)CNC1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2ccn[nH]2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC1CCN(C2CNC(N)C(OC(C)c3c(Cl)ccc(F)c3Cl)C2)N1.CCOC(=O)C1C=NN(C2CNC(N)C(OC(C)c3c(Cl)ccc(F)c3Cl)C2)C1.

What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate?

The InChIKey is JELXOOUBNZDCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN4O.C19H25Cl2FN4O3.C17H25Cl2FN4O.C16H21Cl2FN4O.C16H13Cl2FN4O/c1-11(18-14(21)6-7-15(23)19(18)22)28-17-8-13(10-25-20(17)24)27-16-5-3-2-4-12(16)9-26-27;1-3-28-19(27)11-7-25-26(9-11)12-6-15(18(23)24-8-12)29-10(2)16-13(20)4-5-14(22)17(16)21;1-9-5-6-24(23-9)11-7-14(17(21)22-8-11)25-10(2)15-12(18)3-4-13(20)16(15)19;1-9(14-11(17)3-4-12(19)15(14)18)24-13-7-10(8-21-16(13)20)23-6-2-5-22-23;1-8(14-10(17)2-3-11(19)15(14)18)24-13-6-9(7-21-16(13)20)12-4-5-22-23-12/h2-7,9,11,13,17,20,25H,8,10,24H2,1H3;4-5,7,10-12,15,18,24H,3,6,8-9,23H2,1-2H3;3-4,9-11,14,17,22-23H,5-8,21H2,1-2H3;3-5,9-10,13,16,21H,2,6-8,20H2,1H3;2-8H,1H3,(H2,20,21)(H,22,23).

What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate?

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate has a molecular weight of 2004.46 g/mol, XLogP of 17.53, 22 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,4-dihydropyrazol-2-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-indazol-1-ylpiperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methylpyrazolidin-1-yl)piperidin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-5-yl)pyridin-2-amine;ethyl 2-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]piperidin-3-yl]-3,4-dihydropyrazole-4-carboxylate is sourced from PubChem (CID 158892995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).