3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C16H16N2O5 — CID 137005447

IUPAC3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)C1CCCc2c(C(=O)O)nc(-c3ccc(O)cc3)n21
InChIInChI=1S/C16H16N2O5/c1-23-16(22)12-4-2-3-11-13(15(20)21)17-14(18(11)12)9-5-7-10(19)8-6-9/h5-8,12,19H,2-4H2,1H3,(H,20,21)
InChIKeyHBRNAHRDQUVRJU-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.00
Rot. Bonds3

About 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 137005447) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID137005447
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)C1CCCc2c(C(=O)O)nc(-c3ccc(O)cc3)n21
InChIInChI=1S/C16H16N2O5/c1-23-16(22)12-4-2-3-11-13(15(20)21)17-14(18(11)12)9-5-7-10(19)8-6-9/h5-8,12,19H,2-4H2,1H3,(H,20,21)
InChIKeyHBRNAHRDQUVRJU-UHFFFAOYSA-N
XLogP2.00
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 137005446
5-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247863
5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247945
3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248073
methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate
CID 117128368
methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247803
6-methoxycarbonyl-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248727
3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247620
3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247715
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 137005477
3-(furan-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247687
1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117248007

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 137005447) is 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is COC(=O)C1CCCc2c(C(=O)O)nc(-c3ccc(O)cc3)n21.
What is the InChIKey of 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is HBRNAHRDQUVRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-23-16(22)12-4-2-3-11-13(15(20)21)17-14(18(11)12)9-5-7-10(19)8-6-9/h5-8,12,19H,2-4H2,1H3,(H,20,21).
What are the key properties of 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 316.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 137005447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).