3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C12H15N3O2 — CID 116984013

IUPAC3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(CN)Cc1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C12H15N3O2/c1-8(7-13)6-10-14-11(12(16)17)9-4-2-3-5-15(9)10/h2-5,8H,6-7,13H2,1H3,(H,16,17)
InChIKeyOTTZJSRVBDPGDW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.17
Rot. Bonds4

About 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid

3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984013) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984013
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(CN)Cc1nc(C(=O)O)c2ccccn12
InChIInChI=1S/C12H15N3O2/c1-8(7-13)6-10-14-11(12(16)17)9-4-2-3-5-15(9)10/h2-5,8H,6-7,13H2,1H3,(H,16,17)
InChIKeyOTTZJSRVBDPGDW-UHFFFAOYSA-N
XLogP1.17
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984046
3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
3-(4-amino-2-methylbutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984015
3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674791
1-[3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbonyl]piperidine-4-carbonitrile
CID 110409868
N-(4-acetamidophenyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110423911
3-hydrazinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984081
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 21280356
N-(3-amino-2-methylpropyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 119995798

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984013) is 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CC(CN)Cc1nc(C(=O)O)c2ccccn12.
What is the InChIKey of 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is OTTZJSRVBDPGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(7-13)6-10-14-11(12(16)17)9-4-2-3-5-15(9)10/h2-5,8H,6-7,13H2,1H3,(H,16,17).
What are the key properties of 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).