1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid

C13H15N3O2 — CID 115144695

IUPAC1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1nc(CNC2CCC2)c2ccccn12
InChIInChI=1S/C13H15N3O2/c17-13(18)12-15-10(8-14-9-4-3-5-9)11-6-1-2-7-16(11)12/h1-2,6-7,9,14H,3-5,8H2,(H,17,18)
InChIKeyVSOALLMGQMSDOI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.67
Rot. Bonds4

About 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid

1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 115144695) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID115144695
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1nc(CNC2CCC2)c2ccccn12
InChIInChI=1S/C13H15N3O2/c17-13(18)12-15-10(8-14-9-4-3-5-9)11-6-1-2-7-16(11)12/h1-2,6-7,9,14H,3-5,8H2,(H,17,18)
InChIKeyVSOALLMGQMSDOI-UHFFFAOYSA-N
XLogP1.67
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromoimidazo[1,5-a]pyridin-1-yl)methyl]cyclopentanamine
CID 117246996
3-[(cyclobutylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117257439
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255785
1-N-benzyl-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066660
1-N-benzyl-3-N-cyclopentyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068277
3-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066674
1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 69006631
1-(azepane-1-carbonyl)-N-cycloheptylimidazo[1,5-a]pyridine-3-carboxamide
CID 109071234
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
2-(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 75357284
1-N-[(4-chlorophenyl)methyl]-3-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068281

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid (CID 115144695) is 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1nc(CNC2CCC2)c2ccccn12.
What is the InChIKey of 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is VSOALLMGQMSDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)12-15-10(8-14-9-4-3-5-9)11-6-1-2-7-16(11)12/h1-2,6-7,9,14H,3-5,8H2,(H,17,18).
What are the key properties of 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid?
1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 115144695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).