3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

C12H16N2O2 — CID 83837685

IUPAC3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1nc(C2CC2)n2c1C(C(=O)O)CCC2
InChIInChI=1S/C12H16N2O2/c1-7-10-9(12(15)16)3-2-6-14(10)11(13-7)8-4-5-8/h8-9H,2-6H2,1H3,(H,15,16)
InChIKeyPDRRYAQQPNULSQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.03
Rot. Bonds2

About 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 83837685) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID83837685
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1nc(C2CC2)n2c1C(C(=O)O)CCC2
InChIInChI=1S/C12H16N2O2/c1-7-10-9(12(15)16)3-2-6-14(10)11(13-7)8-4-5-8/h8-9H,2-6H2,1H3,(H,15,16)
InChIKeyPDRRYAQQPNULSQ-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 83837685) is 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is Cc1nc(C2CC2)n2c1C(C(=O)O)CCC2.
What is the InChIKey of 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is PDRRYAQQPNULSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-10-9(12(15)16)3-2-6-14(10)11(13-7)8-4-5-8/h8-9H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 83837685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).