3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid

C25H25N5O3 — CID 174798361

IUPAC3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)nccc32)C1
InChIInChI=1S/C25H25N5O3/c31-24-27-22-21(30(24)20-12-14-28(17-20)25(32)33)11-13-26-23(22)29(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-11,13,20H,12,14-17H2,(H,27,31)(H,32,33)
InChIKeyMCNXHFOXWYLBFD-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.86
Rot. Bonds6

About 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid

3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid (PubChem CID 174798361) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
PubChem CID174798361
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)nccc32)C1
InChIInChI=1S/C25H25N5O3/c31-24-27-22-21(30(24)20-12-14-28(17-20)25(32)33)11-13-26-23(22)29(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-11,13,20H,12,14-17H2,(H,27,31)(H,32,33)
InChIKeyMCNXHFOXWYLBFD-UHFFFAOYSA-N
XLogP3.86
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylate
CID 145271390
tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 145271438
4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid
CID 68903934
4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
2-[benzyl(quinolin-4-ylmethyl)amino]ethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67177030
3-[1-[benzyl(pyridin-2-ylmethyl)amino]propyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 67177475
N-benzyl-6-cyclopropyl-N-methyl-5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 53167721
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547652
[(2S)-2-(dibenzylamino)propyl] 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 25192945
3-[3-[benzyl(pyridin-3-ylmethyl)amino]propyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 67178289
[2-(dibenzylamino)-2-phenylethyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67177904

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid (CID 174798361) is 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)nccc32)C1.
What is the InChIKey of 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is MCNXHFOXWYLBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c31-24-27-22-21(30(24)20-12-14-28(17-20)25(32)33)11-13-26-23(22)29(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-11,13,20H,12,14-17H2,(H,27,31)(H,32,33).
What are the key properties of 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 443.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174798361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).