3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine

C125H125Cl12F6N29O5 — CID 158880418

About 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine (PubChem CID 158880418) has the molecular formula C125H125Cl12F6N29O5 and a molecular weight of 2653.00 g/mol. Its IUPAC name is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine.

Molecular Properties

• Compound Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine
• PubChem CID: 158880418
• Molecular Formula: C125H125Cl12F6N29O5
• Molecular Weight: 2653.00 g/mol
• Exact Mass: 2645.66
• IUPAC Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine
• SMILES: CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Nc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Nc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1cc(-c2cccnc2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1cc(-c2cncc(N3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/2C22H22Cl2FN5O.C21H23Cl2FN6.2C21H22Cl2FN5O.C18H14Cl2FN3O/c1-13(20-16(23)3-4-17(25)21(20)24)31-18-10-15(12-29-22(18)26)14-2-5-19(28-11-14)30-8-6-27-7-9-30;1-13(20-17(23)2-3-18(25)21(20)24)31-19-9-15(11-29-22(19)26)14-8-16(12-28-10-14)30-6-4-27-5-7-30;1-12(19-16(22)2-3-17(24)20(19)23)29-18-8-13(9-27-21(18)25)14-10-28-30(11-14)15-4-6-26-7-5-15;1-12(19-16(22)2-3-17(24)20(19)23)28-18-8-13(9-26-21(18)25)14-10-27-29(11-14)15-4-6-30-7-5-15;1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;1-10(16-13(19)4-5-14(21)17(16)20)25-15-7-12(9-24-18(15)22)11-3-2-6-23-8-11/h2-5,10-13,27H,6-9H2,1H3,(H2,26,29);2-3,8-13,27H,4-7H2,1H3,(H2,26,29);2-3,8-12,15,26,29H,4-7H2,1H3,(H2,25,27);2-3,8-12,15,28H,4-7H2,1H3,(H2,25,26);2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);2-10H,1H3,(H2,22,24)/t2*13-;2*12-;;10-/m1111.1/s1
• InChIKey: JCYPMUURCYRSLK-VBRBHFHJSA-N
• XLogP: 30.36
• TPSA: 450.40 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.00
LogP ≤ 5	30.36
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine?

The IUPAC name of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine (CID 158880418) is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine.

What is the SMILES notation for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine?

The canonical SMILES for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine is CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Nc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Nc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1cc(-c2cccnc2)cnc1N)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1cc(-c2cncc(N3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine?

The InChIKey is JCYPMUURCYRSLK-VBRBHFHJSA-N. The full InChI is InChI=1S/2C22H22Cl2FN5O.C21H23Cl2FN6.2C21H22Cl2FN5O.C18H14Cl2FN3O/c1-13(20-16(23)3-4-17(25)21(20)24)31-18-10-15(12-29-22(18)26)14-2-5-19(28-11-14)30-8-6-27-7-9-30;1-13(20-17(23)2-3-18(25)21(20)24)31-19-9-15(11-29-22(19)26)14-8-16(12-28-10-14)30-6-4-27-5-7-30;1-12(19-16(22)2-3-17(24)20(19)23)29-18-8-13(9-27-21(18)25)14-10-28-30(11-14)15-4-6-26-7-5-15;1-12(19-16(22)2-3-17(24)20(19)23)28-18-8-13(9-26-21(18)25)14-10-27-29(11-14)15-4-6-30-7-5-15;1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;1-10(16-13(19)4-5-14(21)17(16)20)25-15-7-12(9-24-18(15)22)11-3-2-6-23-8-11/h2-5,10-13,27H,6-9H2,1H3,(H2,26,29);2-3,8-13,27H,4-7H2,1H3,(H2,26,29);2-3,8-12,15,26,29H,4-7H2,1H3,(H2,25,27);2-3,8-12,15,28H,4-7H2,1H3,(H2,25,26);2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);2-10H,1H3,(H2,22,24)/t2*13-;2*12-;;10-/m1111.1/s1.

What are the key properties of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine?

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine has a molecular weight of 2653.00 g/mol, XLogP of 30.36, 29 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2,3-diamine;3-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine is sourced from PubChem (CID 158880418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).