3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid

C24H24F2N4O4 — CID 175350986

IUPAC3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid
SMILESCCNn1c(C2CC2F)nc(-c2ccc(CNC(=O)c3cc(F)ccc3OC)cc2)c1C(=O)O
InChIInChI=1S/C24H24F2N4O4/c1-3-28-30-21(24(32)33)20(29-22(30)16-11-18(16)26)14-6-4-13(5-7-14)12-27-23(31)17-10-15(25)8-9-19(17)34-2/h4-10,16,18,28H,3,11-12H2,1-2H3,(H,27,31)(H,32,33)
InChIKeyGHVSEHFYOAKGFO-UHFFFAOYSA-N
MW470.48 g/mol
LogP3.71
Rot. Bonds9

About 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid

3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid (PubChem CID 175350986) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid
PubChem CID175350986
Molecular FormulaC24H24F2N4O4
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Name3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid
SMILESCCNn1c(C2CC2F)nc(-c2ccc(CNC(=O)c3cc(F)ccc3OC)cc2)c1C(=O)O
InChIInChI=1S/C24H24F2N4O4/c1-3-28-30-21(24(32)33)20(29-22(30)16-11-18(16)26)14-6-4-13(5-7-14)12-27-23(31)17-10-15(25)8-9-19(17)34-2/h4-10,16,18,28H,3,11-12H2,1-2H3,(H,27,31)(H,32,33)
InChIKeyGHVSEHFYOAKGFO-UHFFFAOYSA-N
XLogP3.71
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid with MolForge

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Related Compounds

3-amino-2-[(1S,2S)-2-fluorocyclopropyl]-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288177
3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288215
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
5-amino-1-[(3S)-1-[(1R,2S)-2-fluorocyclopropanecarbonyl]pyrrolidin-3-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163207924
6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 164900727
N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 175750648
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129269657
5-amino-1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248194
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(1-piperidin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 162719658
5-amino-1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163207901
5-amino-1-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248424

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid?
The IUPAC name of 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid (CID 175350986) is 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid?
The canonical SMILES for 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid is CCNn1c(C2CC2F)nc(-c2ccc(CNC(=O)c3cc(F)ccc3OC)cc2)c1C(=O)O.
What is the InChIKey of 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid?
The InChIKey is GHVSEHFYOAKGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c1-3-28-30-21(24(32)33)20(29-22(30)16-11-18(16)26)14-6-4-13(5-7-14)12-27-23(31)17-10-15(25)8-9-19(17)34-2/h4-10,16,18,28H,3,11-12H2,1-2H3,(H,27,31)(H,32,33).
What are the key properties of 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid?
3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid has a molecular weight of 470.48 g/mol, XLogP of 3.71, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 175350986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).