(4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C15H17N3O4 — CID 908247

IUPAC(4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3[nH]cnc32)cc1OC
InChIInChI=1S/C15H17N3O4/c1-21-11-4-3-8(5-12(11)22-2)13-14-9(16-7-17-14)6-10(18-13)15(19)20/h3-5,7,10,13,18H,6H2,1-2H3,(H,16,17)(H,19,20)/t10-,13+/m1/s1
InChIKeyHYRCYYCLHCGDCJ-MFKMUULPSA-N
MW303.32 g/mol
LogP1.12
Rot. Bonds4

About (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

(4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 908247) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID908247
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3[nH]cnc32)cc1OC
InChIInChI=1S/C15H17N3O4/c1-21-11-4-3-8(5-12(11)22-2)13-14-9(16-7-17-14)6-10(18-13)15(19)20/h3-5,7,10,13,18H,6H2,1-2H3,(H,16,17)(H,19,20)/t10-,13+/m1/s1
InChIKeyHYRCYYCLHCGDCJ-MFKMUULPSA-N
XLogP1.12
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic 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

(4R,6S)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 933252
4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 42656960
(4R,6S)-4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 908984
(4S,6S)-4-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 907958
(4S,6R)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 836637
(4S,6S)-4-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 908860
4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 42656965
(4R,6R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 95474297
(4S,6S)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 95474300
4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 54775701
(4R,6S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 6353402
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 908247) is (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3[nH]cnc32)cc1OC.
What is the InChIKey of (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is HYRCYYCLHCGDCJ-MFKMUULPSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-21-11-4-3-8(5-12(11)22-2)13-14-9(16-7-17-14)6-10(18-13)15(19)20/h3-5,7,10,13,18H,6H2,1-2H3,(H,16,17)(H,19,20)/t10-,13+/m1/s1.
What are the key properties of (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 908247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).