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

C30H29N3O5 — CID 151650642

IUPAC1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(-n2c(C)nc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1OC
InChIInChI=1S/C30H29N3O5/c1-19-31-23-18-32(29(34)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21)25(30(35)36)17-24(23)33(19)22-14-15-26(37-2)27(16-22)38-3/h4-16,25,28H,17-18H2,1-3H3,(H,35,36)
InChIKeyQULCJLVGSFXRRI-UHFFFAOYSA-N
MW511.58 g/mol
LogP4.37
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 151650642) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID151650642
Molecular FormulaC30H29N3O5
Molecular Weight511.58 g/mol
Exact Mass511.21
IUPAC Name1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(-n2c(C)nc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1OC
InChIInChI=1S/C30H29N3O5/c1-19-31-23-18-32(29(34)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21)25(30(35)36)17-24(23)33(19)22-14-15-26(37-2)27(16-22)38-3/h4-16,25,28H,17-18H2,1-3H3,(H,35,36)
InChIKeyQULCJLVGSFXRRI-UHFFFAOYSA-N
XLogP4.37
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403650
3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 95478982
1-[4-(dimethylamino)-3-methylphenyl]-5-(2,2-diphenylacetyl)-2,4-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 70072187
(6S)-5-[2,2-bis(4-nitrophenyl)acetyl]-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403552
2-(2,2-diphenylacetyl)-6-methoxy-5-(phenylsulfamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 90468683
1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 4701
(3S)-5-[(4-carboxyphenyl)methoxy]-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 67738922
2-(2,2-diphenylacetyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10318033
2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 22402458
(6S)-2-butyl-5-(2,2-diphenylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 54394352
1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-[2-(3-methylphenyl)-2-phenylacetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403628
(6S)-1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 6604951

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 151650642) is 1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is COc1ccc(-n2c(C)nc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is QULCJLVGSFXRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-19-31-23-18-32(29(34)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21)25(30(35)36)17-24(23)33(19)22-14-15-26(37-2)27(16-22)38-3/h4-16,25,28H,17-18H2,1-3H3,(H,35,36).
What are the key properties of 1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 511.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 151650642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).