4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid

C23H24N4O3 — CID 38344451

IUPAC4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1Cc2nc[nH]c2CN1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C23H24N4O3/c1-26(12-16-5-3-2-4-6-16)22(28)21-11-19-20(25-15-24-19)14-27(21)13-17-7-9-18(10-8-17)23(29)30/h2-10,15,21H,11-14H2,1H3,(H,24,25)(H,29,30)/t21-/m0/s1
InChIKeyGXOZWGIQLWCRHD-NRFANRHFSA-N
MW404.47 g/mol
LogP2.69
Rot. Bonds6

About 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid

4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid (PubChem CID 38344451) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
PubChem CID38344451
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1Cc2nc[nH]c2CN1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C23H24N4O3/c1-26(12-16-5-3-2-4-6-16)22(28)21-11-19-20(25-15-24-19)14-27(21)13-17-7-9-18(10-8-17)23(29)30/h2-10,15,21H,11-14H2,1H3,(H,24,25)(H,29,30)/t21-/m0/s1
InChIKeyGXOZWGIQLWCRHD-NRFANRHFSA-N
XLogP2.69
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
CID 25338891
5-[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 26745208
(4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
CID 74507916
4-[[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 26744954
4-[[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 74507577
4-[[6-[3-[3-[hydroxy(oxido)amino]phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 163140079
(6R)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97270889
(6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97270890
5-(1-benzylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 72856408
(6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97283301
N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352302
4-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]benzoic acid
CID 122035291

Frequently Asked Questions

What is the IUPAC name of 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid?
The IUPAC name of 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid (CID 38344451) is 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid is CN(Cc1ccccc1)C(=O)[C@@H]1Cc2nc[nH]c2CN1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid?
The InChIKey is GXOZWGIQLWCRHD-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26(12-16-5-3-2-4-6-16)22(28)21-11-19-20(25-15-24-19)14-27(21)13-17-7-9-18(10-8-17)23(29)30/h2-10,15,21H,11-14H2,1H3,(H,24,25)(H,29,30)/t21-/m0/s1.
What are the key properties of 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid?
4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid has a molecular weight of 404.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6S)-6-[benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid is sourced from PubChem (CID 38344451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).