3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

C12H18N2O2 — CID 83838776

IUPAC3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1ncc2n1CCCC2C(=O)O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)11-13-7-9-8(10(15)16)5-4-6-14(9)11/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyCDIIAKGCUALWSI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.14
Rot. Bonds1

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

3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 83838776) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID83838776
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1ncc2n1CCCC2C(=O)O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)11-13-7-9-8(10(15)16)5-4-6-14(9)11/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyCDIIAKGCUALWSI-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

UK 396082
CID 11241908
(+/-)-5-amino-2-((1-propyl-1H-imidazol-4-yl)methyl)pentanoic acid
CID 9816170
6-Amino-2-[1-(3-methyl-butyl)-1H-imidazol-4-yl]-hexanoic acid
CID 9900049
ent-(2S)-5-amino-2-[(1-n-propyl-1H-imidazol-4-yl)methyl]-pentanoic acid
CID 15974385
5-Amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid
CID 53465144
7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid
CID 90655309
3-bromo-5H,6H,7H,8H-imidazo[1,5-a]pyridine-7-carboxylic acid
CID 83678830
2-Amino-3-(2-cyclohexyl-1-methylimidazol-4-yl)propanoic acid
CID 44292089
2-Amino-3-(2-cyclohexyl-3-methylimidazol-4-yl)propanoic acid
CID 44292225
5H,6H,7H,8H-imidazo(1,5-a)pyridine-7-carboxylic acid hydrochloride
CID 71756863
3-cyclohexyl-5H,6H,7H,8H-imidazo(1,5-a)pyridine-7-carboxylic acid hydrochloride
CID 75447691
5H,6H,7H,8H-imidazo[1,5-a]pyridine-8-carboxylic acid
CID 82414298

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 83838776) is 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is CC(C)(C)c1ncc2n1CCCC2C(=O)O.
What is the InChIKey of 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is CDIIAKGCUALWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)11-13-7-9-8(10(15)16)5-4-6-14(9)11/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 83838776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).