5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide

C58H64ClN9O10 — CID 172580177

About 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide

5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide (PubChem CID 172580177) has the molecular formula C58H64ClN9O10 and a molecular weight of 1082.66 g/mol. Its IUPAC name is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide
• PubChem CID: 172580177
• Molecular Formula: C58H64ClN9O10
• Molecular Weight: 1082.66 g/mol
• Exact Mass: 1081.45
• IUPAC Name: 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide
• SMILES: CCc1c(-c2ccc(C(=O)NCCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)c3cc(Oc4nc5cc(-c6ccc7c(ccn7C)c6)c(Cl)cc5[nH]4)ccc3C)nc2)cnc(N)c1-c1ccc(O)cc1
• InChI: InChI=1S/C58H64ClN9O10/c1-4-44-47(36-65-55(60)54(44)38-6-10-42(69)11-7-38)41-8-13-49(64-35-41)57(72)62-17-15-53(70)61-18-21-73-23-25-75-27-29-77-30-28-76-26-24-74-22-19-63-56(71)45-32-43(12-5-37(45)2)78-58-66-50-33-46(48(59)34-51(50)67-58)39-9-14-52-40(31-39)16-20-68(52)3/h5-14,16,20,31-36,69H,4,15,17-19,21-30H2,1-3H3,(H2,60,65)(H,61,70)(H,62,72)(H,63,71)(H,66,67)
• InChIKey: ZMENIYBLGHPWSB-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 248.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1082.66
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide?

The IUPAC name of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide (CID 172580177) is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide is CCc1c(-c2ccc(C(=O)NCCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)c3cc(Oc4nc5cc(-c6ccc7c(ccn7C)c6)c(Cl)cc5[nH]4)ccc3C)nc2)cnc(N)c1-c1ccc(O)cc1.

What is the InChIKey of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide?

The InChIKey is ZMENIYBLGHPWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64ClN9O10/c1-4-44-47(36-65-55(60)54(44)38-6-10-42(69)11-7-38)41-8-13-49(64-35-41)57(72)62-17-15-53(70)61-18-21-73-23-25-75-27-29-77-30-28-76-26-24-74-22-19-63-56(71)45-32-43(12-5-37(45)2)78-58-66-50-33-46(48(59)34-51(50)67-58)39-9-14-52-40(31-39)16-20-68(52)3/h5-14,16,20,31-36,69H,4,15,17-19,21-30H2,1-3H3,(H2,60,65)(H,61,70)(H,62,72)(H,63,71)(H,66,67).

What are the key properties of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide?

5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide has a molecular weight of 1082.66 g/mol, XLogP of 8.20, 29 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[2-[2-[2-[2-[2-[2-[[5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 172580177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).