2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine

C109H103Cl6F6N25O8 — CID 159753778

About 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine

2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine (PubChem CID 159753778) has the molecular formula C109H103Cl6F6N25O8 and a molecular weight of 2217.90 g/mol. Its IUPAC name is 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine.

Molecular Properties

• Compound Name: 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine
• PubChem CID: 159753778
• Molecular Formula: C109H103Cl6F6N25O8
• Molecular Weight: 2217.90 g/mol
• Exact Mass: 2213.65
• IUPAC Name: 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine
• SMILES: CC(Oc1cc(-c2ccccc2C#N)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(-c2cnn(C)c2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(-c2cnn(C)n2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2ncccn2)cnc1N)c1cc(F)ccc1Cl.COCCCn1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1.COCCn1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1
• InChI: InChI=1S/C20H22ClFN4O2.C20H15ClFN3O.C19H20ClFN4O2.C17H15ClFN5O.C17H16ClFN4O.C16H15ClFN5O/c1-13(17-9-16(22)4-5-18(17)21)28-19-8-14(10-24-20(19)23)15-11-25-26(12-15)6-3-7-27-2;1-12(17-9-15(22)6-7-18(17)21)26-19-8-14(11-25-20(19)24)16-5-3-2-4-13(16)10-23;1-12(16-8-15(21)3-4-17(16)20)27-18-7-13(9-23-19(18)22)14-10-24-25(11-14)5-6-26-2;1-10(13-7-11(19)3-4-14(13)18)25-15-8-12(9-23-16(15)20)24-17-21-5-2-6-22-17;1-10(14-6-13(19)3-4-15(14)18)24-16-5-11(7-21-17(16)20)12-8-22-23(2)9-12;1-9(12-6-11(18)3-4-13(12)17)24-15-5-10(7-20-16(15)19)14-8-21-23(2)22-14/h4-5,8-13H,3,6-7H2,1-2H3,(H2,23,24);2-9,11-12H,1H3,(H2,24,25);3-4,7-12H,5-6H2,1-2H3,(H2,22,23);2-10H,1H3,(H2,20,23)(H,21,22,24);3-10H,1-2H3,(H2,20,21);3-9H,1-2H3,(H2,19,20)
• InChIKey: NDZJJMRDDGSTPY-UHFFFAOYSA-N
• XLogP: 25.26
• TPSA: 453.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2217.90
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine?

The IUPAC name of 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine (CID 159753778) is 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine.

What is the SMILES notation for 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine?

The canonical SMILES for 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine is CC(Oc1cc(-c2ccccc2C#N)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(-c2cnn(C)c2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(-c2cnn(C)n2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2ncccn2)cnc1N)c1cc(F)ccc1Cl.COCCCn1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1.COCCn1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1.

What is the InChIKey of 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine?

The InChIKey is NDZJJMRDDGSTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2.C20H15ClFN3O.C19H20ClFN4O2.C17H15ClFN5O.C17H16ClFN4O.C16H15ClFN5O/c1-13(17-9-16(22)4-5-18(17)21)28-19-8-14(10-24-20(19)23)15-11-25-26(12-15)6-3-7-27-2;1-12(17-9-15(22)6-7-18(17)21)26-19-8-14(11-25-20(19)24)16-5-3-2-4-13(16)10-23;1-12(16-8-15(21)3-4-17(16)20)27-18-7-13(9-23-19(18)22)14-10-24-25(11-14)5-6-26-2;1-10(13-7-11(19)3-4-14(13)18)25-15-8-12(9-23-16(15)20)24-17-21-5-2-6-22-17;1-10(14-6-13(19)3-4-15(14)18)24-16-5-11(7-21-17(16)20)12-8-22-23(2)9-12;1-9(12-6-11(18)3-4-13(12)17)24-15-5-10(7-20-16(15)19)14-8-21-23(2)22-14/h4-5,8-13H,3,6-7H2,1-2H3,(H2,23,24);2-9,11-12H,1H3,(H2,24,25);3-4,7-12H,5-6H2,1-2H3,(H2,22,23);2-10H,1H3,(H2,20,23)(H,21,22,24);3-10H,1-2H3,(H2,20,21);3-9H,1-2H3,(H2,19,20).

What are the key properties of 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine?

2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine has a molecular weight of 2217.90 g/mol, XLogP of 25.26, 32 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]benzonitrile;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(3-methoxypropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(2-methyltriazol-4-yl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-pyrimidin-2-ylpyridine-2,5-diamine is sourced from PubChem (CID 159753778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).