(6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C24H26N4O4 — CID 14457579

IUPAC(6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)N(C)c2ccccc2)C3)cc1C
InChIInChI=1S/C24H26N4O4/c1-16-11-17(9-10-22(16)32-3)13-27-15-25-19-14-28(21(23(29)30)12-20(19)27)24(31)26(2)18-7-5-4-6-8-18/h4-11,15,21H,12-14H2,1-3H3,(H,29,30)/t21-/m0/s1
InChIKeyDFFNEJAPSCUZNT-NRFANRHFSA-N
MW434.50 g/mol
LogP3.32
Rot. Bonds5

About (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14457579) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14457579
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)N(C)c2ccccc2)C3)cc1C
InChIInChI=1S/C24H26N4O4/c1-16-11-17(9-10-22(16)32-3)13-27-15-25-19-14-28(21(23(29)30)12-20(19)27)24(31)26(2)18-7-5-4-6-8-18/h4-11,15,21H,12-14H2,1-3H3,(H,29,30)/t21-/m0/s1
InChIKeyDFFNEJAPSCUZNT-NRFANRHFSA-N
XLogP3.32
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14457579) is (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is COc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)N(C)c2ccccc2)C3)cc1C.
What is the InChIKey of (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is DFFNEJAPSCUZNT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-11-17(9-10-22(16)32-3)13-27-15-25-19-14-28(21(23(29)30)12-20(19)27)24(31)26(2)18-7-5-4-6-8-18/h4-11,15,21H,12-14H2,1-3H3,(H,29,30)/t21-/m0/s1.
What are the key properties of (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 434.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14457579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).