1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

C13H13N3O2 — CID 82386396

IUPAC1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2c(-c3ccncc3)ncn2C1
InChIInChI=1S/C13H13N3O2/c17-13(18)10-1-2-11-12(15-8-16(11)7-10)9-3-5-14-6-4-9/h3-6,8,10H,1-2,7H2,(H,17,18)
InChIKeyMKVSAVDQFNAUHU-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.59
Rot. Bonds2

About 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 82386396) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID82386396
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2c(-c3ccncc3)ncn2C1
InChIInChI=1S/C13H13N3O2/c17-13(18)10-1-2-11-12(15-8-16(11)7-10)9-3-5-14-6-4-9/h3-6,8,10H,1-2,7H2,(H,17,18)
InChIKeyMKVSAVDQFNAUHU-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (CID 82386396) is 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)C1CCc2c(-c3ccncc3)ncn2C1.
What is the InChIKey of 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is MKVSAVDQFNAUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)10-1-2-11-12(15-8-16(11)7-10)9-3-5-14-6-4-9/h3-6,8,10H,1-2,7H2,(H,17,18).
What are the key properties of 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 82386396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).