2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide

C70H81Cl6F3N16O8 — CID 158347604

About 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide

2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 158347604) has the molecular formula C70H81Cl6F3N16O8 and a molecular weight of 1544.23 g/mol. Its IUPAC name is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
• PubChem CID: 158347604
• Molecular Formula: C70H81Cl6F3N16O8
• Molecular Weight: 1544.23 g/mol
• Exact Mass: 1540.45
• IUPAC Name: 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
• SMILES: CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCCN(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCO)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.COCCNC(=O)C(C)(C)n1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1
• InChI: InChI=1S/C25H31Cl2FN6O2.C23H26Cl2FN5O3.C22H24Cl2FN5O3/c1-15(21-18(26)7-8-19(28)22(21)27)36-20-11-16(12-31-23(20)29)17-13-32-34(14-17)25(2,3)24(35)30-9-6-10-33(4)5;1-13(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(32)28-7-8-33-4;1-12(18-15(23)4-5-16(25)19(18)24)33-17-8-13(9-28-20(17)26)14-10-29-30(11-14)22(2,3)21(32)27-6-7-31/h7-8,11-15H,6,9-10H2,1-5H3,(H2,29,31)(H,30,35);5-6,9-13H,7-8H2,1-4H3,(H2,27,29)(H,28,32);4-5,8-12,31H,6-7H2,1-3H3,(H2,26,28)(H,27,32)
• InChIKey: GRXRTZFZRPHCJT-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 317.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1544.23
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

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]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide?

The IUPAC name of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide (CID 158347604) is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide.

What is the SMILES notation for 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide?

The canonical SMILES for 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide is CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCCN(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C(C)(C)C(=O)NCCO)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.COCCNC(=O)C(C)(C)n1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1.

What is the InChIKey of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide?

The InChIKey is GRXRTZFZRPHCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2FN6O2.C23H26Cl2FN5O3.C22H24Cl2FN5O3/c1-15(21-18(26)7-8-19(28)22(21)27)36-20-11-16(12-31-23(20)29)17-13-32-34(14-17)25(2,3)24(35)30-9-6-10-33(4)5;1-13(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(32)28-7-8-33-4;1-12(18-15(23)4-5-16(25)19(18)24)33-17-8-13(9-28-20(17)26)14-10-29-30(11-14)22(2,3)21(32)27-6-7-31/h7-8,11-15H,6,9-10H2,1-5H3,(H2,29,31)(H,30,35);5-6,9-13H,7-8H2,1-4H3,(H2,27,29)(H,28,32);4-5,8-12,31H,6-7H2,1-3H3,(H2,26,28)(H,27,32).

What are the key properties of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide?

2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 1544.23 g/mol, XLogP of 13.48, 27 rotatable bonds, 7 hydrogen bond donors, and 21 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]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 158347604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).