2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid

C24H24ClN5O5 — CID 175437737

IUPAC2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid
SMILESCCOC(=O)c1[nH]c(C2CCCCN2C(=O)O)nc1-c1ccc(C(=O)Nc2cc(Cl)ccn2)cc1
InChIInChI=1S/C24H24ClN5O5/c1-2-35-23(32)20-19(28-21(29-20)17-5-3-4-12-30(17)24(33)34)14-6-8-15(9-7-14)22(31)27-18-13-16(25)10-11-26-18/h6-11,13,17H,2-5,12H2,1H3,(H,28,29)(H,33,34)(H,26,27,31)
InChIKeyIEPZELNUAUWQLX-UHFFFAOYSA-N
MW497.94 g/mol
LogP4.76
Rot. Bonds6

About 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid

2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 175437737) has the molecular formula C24H24ClN5O5 and a molecular weight of 497.94 g/mol. Its IUPAC name is 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid
PubChem CID175437737
Molecular FormulaC24H24ClN5O5
Molecular Weight497.94 g/mol
Exact Mass497.15
IUPAC Name2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid
SMILESCCOC(=O)c1[nH]c(C2CCCCN2C(=O)O)nc1-c1ccc(C(=O)Nc2cc(Cl)ccn2)cc1
InChIInChI=1S/C24H24ClN5O5/c1-2-35-23(32)20-19(28-21(29-20)17-5-3-4-12-30(17)24(33)34)14-6-8-15(9-7-14)22(31)27-18-13-16(25)10-11-26-18/h6-11,13,17H,2-5,12H2,1H3,(H,28,29)(H,33,34)(H,26,27,31)
InChIKeyIEPZELNUAUWQLX-UHFFFAOYSA-N
XLogP4.76
TPSA137.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.94
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

(2S)-2-[5-ethoxycarbonyl-4-[4-[(4-phenyl-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 175076116
2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 175078385
2-[5-ethoxycarbonyl-4-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 175070643
tert-butyl (2S)-2-[5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]azepane-1-carboxylate
CID 155673934
tert-butyl 2-[5-ethoxycarbonyl-4-[4-(pyridin-2-ylcarbamoyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 155307520
ethyl 4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazole-5-carboxylate
CID 155307138
ethyl 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazole-5-carboxylate
CID 155307440
tert-butyl (2S)-2-[5-acetyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 167654514
2-[1-amino-5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]azepane-1-carboxylic acid
CID 175080899
(2S)-2-[5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-1-[(2,2,2-trifluoroacetyl)amino]imidazol-2-yl]piperidine-1-carboxylic acid
CID 175072643
ethyl 4-(4-ethoxycarbonylphenyl)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazole-5-carboxylate
CID 155307667
tert-butyl (2S)-2-[5-acetyl-4-[4-(pyridin-2-ylcarbamoyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 167652744

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid (CID 175437737) is 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid is CCOC(=O)c1[nH]c(C2CCCCN2C(=O)O)nc1-c1ccc(C(=O)Nc2cc(Cl)ccn2)cc1.
What is the InChIKey of 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is IEPZELNUAUWQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O5/c1-2-35-23(32)20-19(28-21(29-20)17-5-3-4-12-30(17)24(33)34)14-6-8-15(9-7-14)22(31)27-18-13-16(25)10-11-26-18/h6-11,13,17H,2-5,12H2,1H3,(H,28,29)(H,33,34)(H,26,27,31).
What are the key properties of 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 497.94 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethoxycarbonyl-1H-imidazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175437737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).