methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate

C13H17N3O3 — CID 117253835

IUPACmethyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CCCN)n2cc(OC)ccc12
InChIInChI=1S/C13H17N3O3/c1-18-9-5-6-10-12(13(17)19-2)15-11(4-3-7-14)16(10)8-9/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyWXRDNIFQTIKAHV-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.02
Rot. Bonds5

About methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253835) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253835
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CCCN)n2cc(OC)ccc12
InChIInChI=1S/C13H17N3O3/c1-18-9-5-6-10-12(13(17)19-2)15-11(4-3-7-14)16(10)8-9/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyWXRDNIFQTIKAHV-UHFFFAOYSA-N
XLogP1.02
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253837
methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253873
3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117253926
methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117255037
2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253910
methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253500
6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255271
methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253439
methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255306
methyl 6-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253419
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984091

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate (CID 117253835) is methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CCCN)n2cc(OC)ccc12.
What is the InChIKey of methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is WXRDNIFQTIKAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-9-5-6-10-12(13(17)19-2)15-11(4-3-7-14)16(10)8-9/h5-6,8H,3-4,7,14H2,1-2H3.
What are the key properties of methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).