3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid

C13H15N3O2 — CID 117254174

IUPAC3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccn2c(CC3CNC3)nc(C(=O)O)c2c1
InChIInChI=1S/C13H15N3O2/c1-8-2-3-16-10(4-8)12(13(17)18)15-11(16)5-9-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,17,18)
InChIKeyGDZKBNMQHQCDSV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.10
Rot. Bonds3

About 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid

3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254174) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254174
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccn2c(CC3CNC3)nc(C(=O)O)c2c1
InChIInChI=1S/C13H15N3O2/c1-8-2-3-16-10(4-8)12(13(17)18)15-11(16)5-9-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,17,18)
InChIKeyGDZKBNMQHQCDSV-UHFFFAOYSA-N
XLogP1.10
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 117254173
3-(azetidin-3-yl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254064
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
7-hydroxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254200
7-methoxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254202
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044
3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83840855
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253630
7-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742900
methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117254749
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254174) is 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1ccn2c(CC3CNC3)nc(C(=O)O)c2c1.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is GDZKBNMQHQCDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-2-3-16-10(4-8)12(13(17)18)15-11(16)5-9-6-14-7-9/h2-4,9,14H,5-7H2,1H3,(H,17,18).
What are the key properties of 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).