1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide)

C77H79Cl3F3N7O19 — CID 161280168

About 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide)

1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide) (PubChem CID 161280168) has the molecular formula C77H79Cl3F3N7O19 and a molecular weight of 1569.86 g/mol. Its IUPAC name is 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide).

Molecular Properties

• Compound Name: 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide)
• PubChem CID: 161280168
• Molecular Formula: C77H79Cl3F3N7O19
• Molecular Weight: 1569.86 g/mol
• Exact Mass: 1567.44
• IUPAC Name: 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide)
• SMILES: COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCC(N)=O.COc1cc(C(=O)O)ccc1OCC(N)=O.COc1ccc(C(C)(O)CN)nc1-c1ccc(F)c(Cl)c1
• InChI: InChI=1S/2C26H26ClFN2O6.C15H16ClFN2O2.C10H11NO5/c2*1-26(33,11-10-19(31)15-5-7-20(22(13-15)35-3)36-14-24(29)32)23-9-8-21(34-2)25(30-23)16-4-6-18(28)17(27)12-16;1-15(20,8-18)13-6-5-12(21-2)14(19-13)9-3-4-11(17)10(16)7-9;1-15-8-4-6(10(13)14)2-3-7(8)16-5-9(11)12/h2*4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32);3-7,20H,8,18H2,1-2H3;2-4H,5H2,1H3,(H2,11,12)(H,13,14)
• InChIKey: VEYYFBBXGJQUIL-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 409.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1569.86
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide)?

The IUPAC name of 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide) (CID 161280168) is 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide).

What is the SMILES notation for 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide)?

The canonical SMILES for 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide) is COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCC(N)=O.COc1cc(C(=O)O)ccc1OCC(N)=O.COc1ccc(C(C)(O)CN)nc1-c1ccc(F)c(Cl)c1.

What is the InChIKey of 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide)?

The InChIKey is VEYYFBBXGJQUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26ClFN2O6.C15H16ClFN2O2.C10H11NO5/c2*1-26(33,11-10-19(31)15-5-7-20(22(13-15)35-3)36-14-24(29)32)23-9-8-21(34-2)25(30-23)16-4-6-18(28)17(27)12-16;1-15(20,8-18)13-6-5-12(21-2)14(19-13)9-3-4-11(17)10(16)7-9;1-15-8-4-6(10(13)14)2-3-7(8)16-5-9(11)12/h2*4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32);3-7,20H,8,18H2,1-2H3;2-4H,5H2,1H3,(H2,11,12)(H,13,14).

What are the key properties of 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide)?

1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide) has a molecular weight of 1569.86 g/mol, XLogP of 11.56, 31 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;bis(2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide) is sourced from PubChem (CID 161280168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).