7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C13H17N3O3 — CID 117254425

IUPAC7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCNCCCc1nc(C(=O)O)c2cc(OC)ccn12
InChIInChI=1S/C13H17N3O3/c1-14-6-3-4-11-15-12(13(17)18)10-8-9(19-2)5-7-16(10)11/h5,7-8,14H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyKLHSURYECPENBA-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.19
Rot. Bonds6

About 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid

7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254425) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254425
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCNCCCc1nc(C(=O)O)c2cc(OC)ccn12
InChIInChI=1S/C13H17N3O3/c1-14-6-3-4-11-15-12(13(17)18)10-8-9(19-2)5-7-16(10)11/h5,7-8,14H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyKLHSURYECPENBA-UHFFFAOYSA-N
XLogP1.19
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255414
7-methoxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254202
8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255040
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
1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117254464
7-hydroxy-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251556
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253835
7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255515

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254425) is 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid is CNCCCc1nc(C(=O)O)c2cc(OC)ccn12.
What is the InChIKey of 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is KLHSURYECPENBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-14-6-3-4-11-15-12(13(17)18)10-8-9(19-2)5-7-16(10)11/h5,7-8,14H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).