6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide

C73H82FN7O8 — CID 143304370

About 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide

6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide (PubChem CID 143304370) has the molecular formula C73H82FN7O8 and a molecular weight of 1204.50 g/mol. Its IUPAC name is 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide
• PubChem CID: 143304370
• Molecular Formula: C73H82FN7O8
• Molecular Weight: 1204.50 g/mol
• Exact Mass: 1203.62
• IUPAC Name: 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide
• SMILES: CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cc(CCN(CC)C(=O)c4ccc(C5=CC6(CCNCC6)Oc6cc(CCN(CC)C(=O)c7ccc(C8=CC9(CCNCC9)Cc9cc(O)cc(O)c98)cc7)cc(F)c65)cc4)cc(OC)c32)nc1
• InChI: InChI=1S/C73H82FN7O8/c1-6-79(7-2)70(86)53-18-19-60(78-46-53)58-45-73(26-32-77-33-27-73)89-64-39-48(37-62(87-5)67(58)64)21-35-81(9-4)69(85)52-16-12-50(13-17-52)57-44-72(24-30-76-31-25-72)88-63-38-47(36-59(74)66(57)63)20-34-80(8-3)68(84)51-14-10-49(11-15-51)56-43-71(22-28-75-29-23-71)42-54-40-55(82)41-61(83)65(54)56/h10-19,36-41,43-46,75-77,82-83H,6-9,20-35,42H2,1-5H3
• InChIKey: CITCUYVPWPIBTA-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 178.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.50
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide?

The IUPAC name of 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide (CID 143304370) is 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide.

What is the SMILES notation for 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide?

The canonical SMILES for 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cc(CCN(CC)C(=O)c4ccc(C5=CC6(CCNCC6)Oc6cc(CCN(CC)C(=O)c7ccc(C8=CC9(CCNCC9)Cc9cc(O)cc(O)c98)cc7)cc(F)c65)cc4)cc(OC)c32)nc1.

What is the InChIKey of 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide?

The InChIKey is CITCUYVPWPIBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H82FN7O8/c1-6-79(7-2)70(86)53-18-19-60(78-46-53)58-45-73(26-32-77-33-27-73)89-64-39-48(37-62(87-5)67(58)64)21-35-81(9-4)69(85)52-16-12-50(13-17-52)57-44-72(24-30-76-31-25-72)88-63-38-47(36-59(74)66(57)63)20-34-80(8-3)68(84)51-14-10-49(11-15-51)56-43-71(22-28-75-29-23-71)42-54-40-55(82)41-61(83)65(54)56/h10-19,36-41,43-46,75-77,82-83H,6-9,20-35,42H2,1-5H3.

What are the key properties of 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide?

6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide has a molecular weight of 1204.50 g/mol, XLogP of 10.78, 17 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[2-[[4-[7-[2-[[4-(6,8-dihydroxyspiro[4H-naphthalene-3,4'-piperidine]-1-yl)benzoyl]-ethylamino]ethyl]-5-fluorospiro[chromene-2,4'-piperidine]-4-yl]benzoyl]-ethylamino]ethyl]-5-methoxyspiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 143304370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).