2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone

C102H100F4N20O8 — CID 158411225

IUPAC2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone
SMILESCN(Cc1ccccn1)Cc1cn(CCc2ccc(F)cc2)c(-c2cc(C(=O)CO)ccn2)n1.CN(Cc1ccccn1)Cc1cn(CCc2ccc(F)cc2)c(-c2cc(C(=O)O)ccn2)n1.CN(Cc1ccccn1)Cc1cnc(-c2cc(C(=O)CO)ccn2)n1CCc1ccc(F)cc1.CN(Cc1ccccn1)Cc1cnc(-c2cc(C(=O)O)ccn2)n1CCc1ccc(F)cc1
InChIInChI=1S/2C26H26FN5O2.2C25H24FN5O2/c1-31(16-22-4-2-3-11-28-22)17-23-15-30-26(24-14-20(9-12-29-24)25(34)18-33)32(23)13-10-19-5-7-21(27)8-6-19;1-31(15-22-4-2-3-11-28-22)16-23-17-32(13-10-19-5-7-21(27)8-6-19)26(30-23)24-14-20(9-12-29-24)25(34)18-33;1-30(16-21-4-2-3-11-27-21)17-22-15-29-24(23-14-19(25(32)33)9-12-28-23)31(22)13-10-18-5-7-20(26)8-6-18;1-30(15-21-4-2-3-11-27-21)16-22-17-31(13-10-18-5-7-20(26)8-6-18)24(29-22)23-14-19(25(32)33)9-12-28-23/h2-9,11-12,14-15,33H,10,13,16-18H2,1H3;2-9,11-12,14,17,33H,10,13,15-16,18H2,1H3;2-9,11-12,14-15H,10,13,16-17H2,1H3,(H,32,33);2-9,11-12,14,17H,10,13,15-16H2,1H3,(H,32,33)
InChIKeyGZIKIZXKJRFJGW-UHFFFAOYSA-N
MW1810.05 g/mol
LogP15.16
Rot. Bonds38

About 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone

2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone (PubChem CID 158411225) has the molecular formula C102H100F4N20O8 and a molecular weight of 1810.05 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone
PubChem CID158411225
Molecular FormulaC102H100F4N20O8
Molecular Weight1810.05 g/mol
Exact Mass1808.80
IUPAC Name2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone
SMILESCN(Cc1ccccn1)Cc1cn(CCc2ccc(F)cc2)c(-c2cc(C(=O)CO)ccn2)n1.CN(Cc1ccccn1)Cc1cn(CCc2ccc(F)cc2)c(-c2cc(C(=O)O)ccn2)n1.CN(Cc1ccccn1)Cc1cnc(-c2cc(C(=O)CO)ccn2)n1CCc1ccc(F)cc1.CN(Cc1ccccn1)Cc1cnc(-c2cc(C(=O)O)ccn2)n1CCc1ccc(F)cc1
InChIInChI=1S/2C26H26FN5O2.2C25H24FN5O2/c1-31(16-22-4-2-3-11-28-22)17-23-15-30-26(24-14-20(9-12-29-24)25(34)18-33)32(23)13-10-19-5-7-21(27)8-6-19;1-31(15-22-4-2-3-11-28-22)16-23-17-32(13-10-19-5-7-21(27)8-6-19)26(30-23)24-14-20(9-12-29-24)25(34)18-33;1-30(16-21-4-2-3-11-27-21)17-22-15-29-24(23-14-19(25(32)33)9-12-28-23)31(22)13-10-18-5-7-20(26)8-6-18;1-30(15-21-4-2-3-11-27-21)16-22-17-31(13-10-18-5-7-20(26)8-6-18)24(29-22)23-14-19(25(32)33)9-12-28-23/h2-9,11-12,14-15,33H,10,13,16-18H2,1H3;2-9,11-12,14,17,33H,10,13,15-16,18H2,1H3;2-9,11-12,14-15H,10,13,16-17H2,1H3,(H,32,33);2-9,11-12,14,17H,10,13,15-16H2,1H3,(H,32,33)
InChIKeyGZIKIZXKJRFJGW-UHFFFAOYSA-N
XLogP15.16
TPSA336.56 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001810.05
LogP ≤ 515.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone (CID 158411225) is 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone is CN(Cc1ccccn1)Cc1cn(CCc2ccc(F)cc2)c(-c2cc(C(=O)CO)ccn2)n1.CN(Cc1ccccn1)Cc1cn(CCc2ccc(F)cc2)c(-c2cc(C(=O)O)ccn2)n1.CN(Cc1ccccn1)Cc1cnc(-c2cc(C(=O)CO)ccn2)n1CCc1ccc(F)cc1.CN(Cc1ccccn1)Cc1cnc(-c2cc(C(=O)O)ccn2)n1CCc1ccc(F)cc1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone?
The InChIKey is GZIKIZXKJRFJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26FN5O2.2C25H24FN5O2/c1-31(16-22-4-2-3-11-28-22)17-23-15-30-26(24-14-20(9-12-29-24)25(34)18-33)32(23)13-10-19-5-7-21(27)8-6-19;1-31(15-22-4-2-3-11-28-22)16-23-17-32(13-10-19-5-7-21(27)8-6-19)26(30-23)24-14-20(9-12-29-24)25(34)18-33;1-30(16-21-4-2-3-11-27-21)17-22-15-29-24(23-14-19(25(32)33)9-12-28-23)31(22)13-10-18-5-7-20(26)8-6-18;1-30(15-21-4-2-3-11-27-21)16-22-17-31(13-10-18-5-7-20(26)8-6-18)24(29-22)23-14-19(25(32)33)9-12-28-23/h2-9,11-12,14-15,33H,10,13,16-18H2,1H3;2-9,11-12,14,17,33H,10,13,15-16,18H2,1H3;2-9,11-12,14-15H,10,13,16-17H2,1H3,(H,32,33);2-9,11-12,14,17H,10,13,15-16H2,1H3,(H,32,33).
What are the key properties of 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone?
2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone has a molecular weight of 1810.05 g/mol, XLogP of 15.16, 38 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone is sourced from PubChem (CID 158411225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).