5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid

C51H38FN3O4 — CID 164776296

IUPAC5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CCc2cc(CCc3ccc(C(=O)O)nc3)cc(-c3ccccc3-c3cnc(-c4ccc(F)cc4)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1
InChIInChI=1S/C51H38FN3O4/c52-42-22-20-40(21-23-42)49-29-45(39-18-16-38(17-19-39)37-6-2-1-3-7-37)46(32-55-49)44-9-5-4-8-43(44)41-27-35(12-10-33-14-24-47(50(56)57)53-30-33)26-36(28-41)13-11-34-15-25-48(51(58)59)54-31-34/h1-9,14-32H,10-13H2,(H,56,57)(H,58,59)
InChIKeyQPBJHUJEQJKBAB-UHFFFAOYSA-N
MW775.88 g/mol
LogP11.31
Rot. Bonds13

About 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid

5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid (PubChem CID 164776296) has the molecular formula C51H38FN3O4 and a molecular weight of 775.88 g/mol. Its IUPAC name is 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid
PubChem CID164776296
Molecular FormulaC51H38FN3O4
Molecular Weight775.88 g/mol
Exact Mass775.28
IUPAC Name5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CCc2cc(CCc3ccc(C(=O)O)nc3)cc(-c3ccccc3-c3cnc(-c4ccc(F)cc4)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1
InChIInChI=1S/C51H38FN3O4/c52-42-22-20-40(21-23-42)49-29-45(39-18-16-38(17-19-39)37-6-2-1-3-7-37)46(32-55-49)44-9-5-4-8-43(44)41-27-35(12-10-33-14-24-47(50(56)57)53-30-33)26-36(28-41)13-11-34-15-25-48(51(58)59)54-31-34/h1-9,14-32H,10-13H2,(H,56,57)(H,58,59)
InChIKeyQPBJHUJEQJKBAB-UHFFFAOYSA-N
XLogP11.31
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.88
LogP ≤ 511.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166841
4-[4-[(1R,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166852
4-[4-[(1S,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166950
4-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136167037
4-([2,2':6',2''-Terpyridin]-4'-yl)benzoic Acid
CID 15903886
6-[[[(1R)-1-(2,4-difluorophenyl)ethyl]-(isoquinoline-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 122178107
4-[4-[(1R,3Z)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166972
5-(4-Fluorophenyl)pyridine-2-carboxylic acid
CID 23120510
[3,3'-Bipyridine]-6-carboxylic acid
CID 46316070
5-[4-(Trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983951
Picotrin
CID 47264
5-(Naphthalen-1-yl)picolinic acid
CID 53211461

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid (CID 164776296) is 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CCc2cc(CCc3ccc(C(=O)O)nc3)cc(-c3ccccc3-c3cnc(-c4ccc(F)cc4)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1.
What is the InChIKey of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid?
The InChIKey is QPBJHUJEQJKBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38FN3O4/c52-42-22-20-40(21-23-42)49-29-45(39-18-16-38(17-19-39)37-6-2-1-3-7-37)46(32-55-49)44-9-5-4-8-43(44)41-27-35(12-10-33-14-24-47(50(56)57)53-30-33)26-36(28-41)13-11-34-15-25-48(51(58)59)54-31-34/h1-9,14-32H,10-13H2,(H,56,57)(H,58,59).
What are the key properties of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid?
5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid has a molecular weight of 775.88 g/mol, XLogP of 11.31, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)ethyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 164776296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).