methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

C13H16N4O2 — CID 117253607

IUPACmethyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CNC2)n2cc(N)ccc12
InChIInChI=1S/C13H16N4O2/c1-19-13(18)12-10-3-2-9(14)7-17(10)11(16-12)4-8-5-15-6-8/h2-3,7-8,15H,4-6,14H2,1H3
InChIKeyUZFGJPCKWVZASS-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.47
Rot. Bonds3

About methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253607) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253607
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CNC2)n2cc(N)ccc12
InChIInChI=1S/C13H16N4O2/c1-19-13(18)12-10-3-2-9(14)7-17(10)11(16-12)4-8-5-15-6-8/h2-3,7-8,15H,4-6,14H2,1H3
InChIKeyUZFGJPCKWVZASS-UHFFFAOYSA-N
XLogP0.47
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253635
methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117254749
methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253578
methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254781
6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250975
methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253500
6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584
2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253910
methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253439
6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253630
3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254174
methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253835

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 117253607) is methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC2CNC2)n2cc(N)ccc12.
What is the InChIKey of methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is UZFGJPCKWVZASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-13(18)12-10-3-2-9(14)7-17(10)11(16-12)4-8-5-15-6-8/h2-3,7-8,15H,4-6,14H2,1H3.
What are the key properties of methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).