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

C12H19N3O2 — CID 116984193

IUPAC3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)CCc1nc(C(=O)O)c2n1CCCC2
InChIInChI=1S/C12H19N3O2/c1-8(13)5-6-10-14-11(12(16)17)9-4-2-3-7-15(9)10/h8H,2-7,13H2,1H3,(H,16,17)
InChIKeyJOFJTCMTXCQKIQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds4

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

3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984193) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984193
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(N)CCc1nc(C(=O)O)c2n1CCCC2
InChIInChI=1S/C12H19N3O2/c1-8(13)5-6-10-14-11(12(16)17)9-4-2-3-7-15(9)10/h8H,2-7,13H2,1H3,(H,16,17)
InChIKeyJOFJTCMTXCQKIQ-UHFFFAOYSA-N
XLogP1.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984242
3-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247796
3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247244
3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984197
3-[(cyclobutylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247232
3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984284
3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984206
2-amino-2-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83897617
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83865393
3-(morpholin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984248
ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
CID 131355066
1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 83865351

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984193) is 3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CC(N)CCc1nc(C(=O)O)c2n1CCCC2.
What is the InChIKey of 3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is JOFJTCMTXCQKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(13)5-6-10-14-11(12(16)17)9-4-2-3-7-15(9)10/h8H,2-7,13H2,1H3,(H,16,17).
What are the key properties of 3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).