methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate

C14H19N3O2 — CID 117253873

IUPACmethyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNCCCc1nc(C(=O)OC)c2ccc(C)cn12
InChIInChI=1S/C14H19N3O2/c1-10-6-7-11-13(14(18)19-3)16-12(17(11)9-10)5-4-8-15-2/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyUOGGEPZWKPLQDH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.58
Rot. Bonds5

About methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate

methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253873) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253873
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCNCCCc1nc(C(=O)OC)c2ccc(C)cn12
InChIInChI=1S/C14H19N3O2/c1-10-6-7-11-13(14(18)19-3)16-12(17(11)9-10)5-4-8-15-2/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyUOGGEPZWKPLQDH-UHFFFAOYSA-N
XLogP1.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253837
methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253835
methyl 6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253635
3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117253926
7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254425
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
methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117254937
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518
methyl 6-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253419
6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255410
3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
CID 117253851

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate (CID 117253873) is methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate is CNCCCc1nc(C(=O)OC)c2ccc(C)cn12.
What is the InChIKey of methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is UOGGEPZWKPLQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-6-7-11-13(14(18)19-3)16-12(17(11)9-10)5-4-8-15-2/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate?
methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).