4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C15H17N3O4 — CID 42656960

IUPAC4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(OC)c(C2NC(C(=O)O)Cc3[nH]cnc32)c1
InChIInChI=1S/C15H17N3O4/c1-21-8-3-4-12(22-2)9(5-8)13-14-10(16-7-17-14)6-11(18-13)15(19)20/h3-5,7,11,13,18H,6H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyKZBHVOAPLYGIMA-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.12
Rot. Bonds4

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

4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 42656960) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID42656960
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(OC)c(C2NC(C(=O)O)Cc3[nH]cnc32)c1
InChIInChI=1S/C15H17N3O4/c1-21-8-3-4-12(22-2)9(5-8)13-14-10(16-7-17-14)6-11(18-13)15(19)20/h3-5,7,11,13,18H,6H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyKZBHVOAPLYGIMA-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 42656960) is 4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is COc1ccc(OC)c(C2NC(C(=O)O)Cc3[nH]cnc32)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is KZBHVOAPLYGIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-21-8-3-4-12(22-2)9(5-8)13-14-10(16-7-17-14)6-11(18-13)15(19)20/h3-5,7,11,13,18H,6H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
4-(2,5-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 4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 42656960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).