2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine

C91H102Cl8F4N20O7 — CID 157491243

About 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine

2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 157491243) has the molecular formula C91H102Cl8F4N20O7 and a molecular weight of 1947.57 g/mol. Its IUPAC name is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-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]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
• PubChem CID: 157491243
• Molecular Formula: C91H102Cl8F4N20O7
• Molecular Weight: 1947.57 g/mol
• Exact Mass: 1942.57
• IUPAC Name: 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
• SMILES: CC(C)Cn1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1.CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCN3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCN3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C26H31Cl2FN6O3.C26H31Cl2FN6O2.C20H21Cl2FN4O.C19H19Cl2FN4O/c1-16(22-19(27)4-5-20(29)23(22)28)38-21-12-17(13-32-24(21)30)18-14-33-35(15-18)26(2,3)25(36)31-6-7-34-8-10-37-11-9-34;1-16(22-19(27)6-7-20(29)23(22)28)37-21-12-17(13-32-24(21)30)18-14-33-35(15-18)26(2,3)25(36)31-8-11-34-9-4-5-10-34;1-11(2)9-27-10-14(8-26-27)13-6-17(20(24)25-7-13)28-12(3)18-15(21)4-5-16(23)19(18)22;1-10(2)26-9-13(8-25-26)12-6-16(19(23)24-7-12)27-11(3)17-14(20)4-5-15(22)18(17)21/h4-5,12-16H,6-11H2,1-3H3,(H2,30,32)(H,31,36);6-7,12-16H,4-5,8-11H2,1-3H3,(H2,30,32)(H,31,36);4-8,10-12H,9H2,1-3H3,(H2,24,25);4-11H,1-3H3,(H2,23,24)
• InChIKey: BXHMRVULXOPKRV-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 337.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1947.57
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

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]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-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]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine (CID 157491243) is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-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]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-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]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine is CC(C)Cn1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1.CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCN3CCCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCN3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C(C)C)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]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine?

The InChIKey is BXHMRVULXOPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2FN6O3.C26H31Cl2FN6O2.C20H21Cl2FN4O.C19H19Cl2FN4O/c1-16(22-19(27)4-5-20(29)23(22)28)38-21-12-17(13-32-24(21)30)18-14-33-35(15-18)26(2,3)25(36)31-6-7-34-8-10-37-11-9-34;1-16(22-19(27)6-7-20(29)23(22)28)37-21-12-17(13-32-24(21)30)18-14-33-35(15-18)26(2,3)25(36)31-8-11-34-9-4-5-10-34;1-11(2)9-27-10-14(8-26-27)13-6-17(20(24)25-7-13)28-12(3)18-15(21)4-5-16(23)19(18)22;1-10(2)26-9-13(8-25-26)12-6-16(19(23)24-7-12)27-11(3)17-14(20)4-5-15(22)18(17)21/h4-5,12-16H,6-11H2,1-3H3,(H2,30,32)(H,31,36);6-7,12-16H,4-5,8-11H2,1-3H3,(H2,30,32)(H,31,36);4-8,10-12H,9H2,1-3H3,(H2,24,25);4-11H,1-3H3,(H2,23,24).

What are the key properties of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine?

2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 1947.57 g/mol, XLogP of 20.82, 29 rotatable bonds, 6 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]pyrazol-1-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 157491243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).