2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine

C85H91Cl8F4N19O5 — CID 159737928

About 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine

2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 159737928) has the molecular formula C85H91Cl8F4N19O5 and a molecular weight of 1818.41 g/mol. Its IUPAC name is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine
• PubChem CID: 159737928
• Molecular Formula: C85H91Cl8F4N19O5
• Molecular Weight: 1818.41 g/mol
• Exact Mass: 1813.49
• IUPAC Name: 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cnn(CC3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(CCC3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(CCN3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(CCO)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C23H25Cl2FN4O.C22H25Cl2FN6O.C22H24Cl2FN5O.C18H17Cl2FN4O2/c1-14(21-18(24)6-7-19(26)22(21)25)31-20-10-16(11-28-23(20)27)17-12-29-30(13-17)9-8-15-4-2-3-5-15;1-14(20-17(23)2-3-18(25)21(20)24)32-19-10-15(11-28-22(19)26)16-12-29-31(13-16)9-8-30-6-4-27-5-7-30;1-13(20-17(23)2-3-18(25)21(20)24)31-19-8-15(9-28-22(19)26)16-10-29-30(12-16)11-14-4-6-27-7-5-14;1-10(16-13(19)2-3-14(21)17(16)20)27-15-6-11(7-23-18(15)22)12-8-24-25(9-12)4-5-26/h6-7,10-15H,2-5,8-9H2,1H3,(H2,27,28);2-3,10-14,27H,4-9H2,1H3,(H2,26,28);2-3,8-10,12-14,27H,4-7,11H2,1H3,(H2,26,28);2-3,6-10,26H,4-5H2,1H3,(H2,22,23)
• InChIKey: NCBNGQGZYHBOPX-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 311.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1818.41
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine?

The IUPAC name of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine (CID 159737928) is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine.

What is the SMILES notation for 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine?

The canonical SMILES for 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine is CC(Oc1cc(-c2cnn(CC3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(CCC3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(CCN3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(CCO)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine?

The InChIKey is NCBNGQGZYHBOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2FN4O.C22H25Cl2FN6O.C22H24Cl2FN5O.C18H17Cl2FN4O2/c1-14(21-18(24)6-7-19(26)22(21)25)31-20-10-16(11-28-23(20)27)17-12-29-30(13-17)9-8-15-4-2-3-5-15;1-14(20-17(23)2-3-18(25)21(20)24)32-19-10-15(11-28-22(19)26)16-12-29-31(13-16)9-8-30-6-4-27-5-7-30;1-13(20-17(23)2-3-18(25)21(20)24)31-19-8-15(9-28-22(19)26)16-10-29-30(12-16)11-14-4-6-27-7-5-14;1-10(16-13(19)2-3-14(21)17(16)20)27-15-6-11(7-23-18(15)22)12-8-24-25(9-12)4-5-26/h6-7,10-15H,2-5,8-9H2,1H3,(H2,27,28);2-3,10-14,27H,4-9H2,1H3,(H2,26,28);2-3,8-10,12-14,27H,4-7,11H2,1H3,(H2,26,28);2-3,6-10,26H,4-5H2,1H3,(H2,22,23).

What are the key properties of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine?

2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 1818.41 g/mol, XLogP of 19.93, 26 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethanol;5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 159737928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).