2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine

C85H89Cl8F4N19O8 — CID 158638435

About 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine

2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 158638435) has the molecular formula C85H89Cl8F4N19O8 and a molecular weight of 1864.39 g/mol. Its IUPAC name is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine
• PubChem CID: 158638435
• Molecular Formula: C85H89Cl8F4N19O8
• Molecular Weight: 1864.39 g/mol
• Exact Mass: 1859.46
• IUPAC Name: 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCCO)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CCNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.Cc1nn(C(C)(C)C(=O)O)cc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1
• InChI: InChI=1S/C23H26Cl2FN5O3.C21H22Cl2FN5O.C21H21Cl2FN4O3.C20H20Cl2FN5O/c1-13(19-16(24)5-6-17(26)20(19)25)34-18-9-14(10-29-21(18)27)15-11-30-31(12-15)23(2,3)22(33)28-7-4-8-32;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;1-10-13(9-28(27-10)21(3,4)20(29)30)12-7-16(19(25)26-8-12)31-11(2)17-14(22)5-6-15(24)18(17)23;1-11(18-15(21)2-3-16(23)19(18)22)29-17-6-12(7-26-20(17)24)13-8-27-28(10-13)14-4-5-25-9-14/h5-6,9-13,32H,4,7-8H2,1-3H3,(H2,27,29)(H,28,33);2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);5-9,11H,1-4H3,(H2,25,26)(H,29,30);2-3,6-8,10-11,14,25H,4-5,9H2,1H3,(H2,24,26)
• InChIKey: IABIBUWREISSJS-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 374.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1864.39
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	9
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 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine?

The IUPAC name of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine (CID 158638435) is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-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]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine?

The canonical SMILES for 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine is CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCCO)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CCNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.Cc1nn(C(C)(C)C(=O)O)cc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.

What is the InChIKey of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine?

The InChIKey is IABIBUWREISSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2FN5O3.C21H22Cl2FN5O.C21H21Cl2FN4O3.C20H20Cl2FN5O/c1-13(19-16(24)5-6-17(26)20(19)25)34-18-9-14(10-29-21(18)27)15-11-30-31(12-15)23(2,3)22(33)28-7-4-8-32;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;1-10-13(9-28(27-10)21(3,4)20(29)30)12-7-16(19(25)26-8-12)31-11(2)17-14(22)5-6-15(24)18(17)23;1-11(18-15(21)2-3-16(23)19(18)22)29-17-6-12(7-26-20(17)24)13-8-27-28(10-13)14-4-5-25-9-14/h5-6,9-13,32H,4,7-8H2,1-3H3,(H2,27,29)(H,28,33);2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);5-9,11H,1-4H3,(H2,25,26)(H,29,30);2-3,6-8,10-11,14,25H,4-5,9H2,1H3,(H2,24,26).

What are the key properties of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine?

2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 1864.39 g/mol, XLogP of 19.27, 25 rotatable bonds, 9 hydrogen bond donors, and 25 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]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(3-hydroxypropyl)-2-methylpropanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 158638435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).