(6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C30H29N3O3 — CID 14403562

IUPAC(6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C
InChIInChI=1S/C30H29N3O3/c1-20-13-14-22(15-21(20)2)17-32-19-31-25-18-33(27(30(35)36)16-26(25)32)29(34)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-15,19,27-28H,16-18H2,1-2H3,(H,35,36)/t27-/m0/s1
InChIKeyHAESDYUPXFHGPG-MHZLTWQESA-N
MW479.58 g/mol
LogP4.72
Rot. Bonds6

About (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403562) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14403562
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name(6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C
InChIInChI=1S/C30H29N3O3/c1-20-13-14-22(15-21(20)2)17-32-19-31-25-18-33(27(30(35)36)16-26(25)32)29(34)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-15,19,27-28H,16-18H2,1-2H3,(H,35,36)/t27-/m0/s1
InChIKeyHAESDYUPXFHGPG-MHZLTWQESA-N
XLogP4.72
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-(dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 4701
(6S)-1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 5311345
1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 5311348
1-((4-Amino-3-methylphenyl)methyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 114899
PD 123319 ditrifluoroacetate
CID 6604951
(6S)-1-[2-(1-adamantyl)ethyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403488
(6S)-5-(2,2-diphenylacetyl)-1-[(4-hydroxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403558
(6S)-5-(2,2-diphenylacetyl)-1-[(3-methyl-4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403560
(6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403564
(6S)-5-(2,2-diphenylacetyl)-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403571
(6S)-1-[(4-aminophenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403573
(6S)-1-[(4-acetamido-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403593

Frequently Asked Questions

What is the IUPAC name of (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403562) is (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is Cc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C.
What is the InChIKey of (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is HAESDYUPXFHGPG-MHZLTWQESA-N. The full InChI is InChI=1S/C30H29N3O3/c1-20-13-14-22(15-21(20)2)17-32-19-31-25-18-33(27(30(35)36)16-26(25)32)29(34)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-15,19,27-28H,16-18H2,1-2H3,(H,35,36)/t27-/m0/s1.
What are the key properties of (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 479.58 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).