3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine

C82H87Cl8F4N21O5 — CID 161473578

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 161473578) has the molecular formula C82H87Cl8F4N21O5 and a molecular weight of 1806.36 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine
• PubChem CID: 161473578
• Molecular Formula: C82H87Cl8F4N21O5
• Molecular Weight: 1806.36 g/mol
• Exact Mass: 1801.46
• IUPAC Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cnn(C(C)(C)COCCN3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C[C@@H]3CCCN3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C26H32Cl2FN5O2.C21H22Cl2FN5O.C20H21Cl2FN6O.C15H12Cl2FN5O/c1-17(23-20(27)6-7-21(29)24(23)28)36-22-12-18(13-31-25(22)30)19-14-32-34(15-19)26(2,3)16-35-11-10-33-8-4-5-9-33;1-12(19-16(22)4-5-17(24)20(19)23)30-18-7-13(8-27-21(18)25)14-9-28-29(10-14)11-15-3-2-6-26-15;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/h6-7,12-15,17H,4-5,8-11,16H2,1-3H3,(H2,30,31);4-5,7-10,12,15,26H,2-3,6,11H2,1H3,(H2,25,27);2-3,8-11,13,25H,4-7H2,1H3,(H2,24,26);2-7H,1H3,(H2,19,20)(H,21,22)/t;12?,15-;;/m.0../s1
• InChIKey: WDKJBHIPCOSGRG-LFZQIWGZSA-N
• XLogP: 19.29
• TPSA: 337.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1806.36
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine?

The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine (CID 161473578) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine?

The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine is CC(Oc1cc(-c2cnn(C(C)(C)COCCN3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C[C@@H]3CCCN3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine?

The InChIKey is WDKJBHIPCOSGRG-LFZQIWGZSA-N. The full InChI is InChI=1S/C26H32Cl2FN5O2.C21H22Cl2FN5O.C20H21Cl2FN6O.C15H12Cl2FN5O/c1-17(23-20(27)6-7-21(29)24(23)28)36-22-12-18(13-31-25(22)30)19-14-32-34(15-19)26(2,3)16-35-11-10-33-8-4-5-9-33;1-12(19-16(22)4-5-17(24)20(19)23)30-18-7-13(8-27-21(18)25)14-9-28-29(10-14)11-15-3-2-6-26-15;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/h6-7,12-15,17H,4-5,8-11,16H2,1-3H3,(H2,30,31);4-5,7-10,12,15,26H,2-3,6,11H2,1H3,(H2,25,27);2-3,8-11,13,25H,4-7H2,1H3,(H2,24,26);2-7H,1H3,(H2,19,20)(H,21,22)/t;12?,15-;;/m.0../s1.

What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine?

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 1806.36 g/mol, XLogP of 19.29, 25 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-methyl-1-(2-pyrrolidin-1-ylethoxy)propan-2-yl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 161473578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).