methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate

C16H21N3O2 — CID 117140229

IUPACmethyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
SMILESCCN1CCCC1Cc1ncc2ccc(C(=O)OC)cn12
InChIInChI=1S/C16H21N3O2/c1-3-18-8-4-5-13(18)9-15-17-10-14-7-6-12(11-19(14)15)16(20)21-2/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyRUTDXVFKLWRFMX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.15
Rot. Bonds4

About methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate

methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117140229) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117140229
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
SMILESCCN1CCCC1Cc1ncc2ccc(C(=O)OC)cn12
InChIInChI=1S/C16H21N3O2/c1-3-18-8-4-5-13(18)9-15-17-10-14-7-6-12(11-19(14)15)16(20)21-2/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyRUTDXVFKLWRFMX-UHFFFAOYSA-N
XLogP2.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(1-methylpiperidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140246
3-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxyimidazo[1,5-a]pyridine
CID 117137995
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138555
7-chloro-3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine
CID 117144209
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxyimidazo[1,5-a]pyridine
CID 117140497
methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140386
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridin-8-ol
CID 117146658
methyl 3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147575
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146656
3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140239
methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132113
3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140259

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate (CID 117140229) is methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate is CCN1CCCC1Cc1ncc2ccc(C(=O)OC)cn12.
What is the InChIKey of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is RUTDXVFKLWRFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-18-8-4-5-13(18)9-15-17-10-14-7-6-12(11-19(14)15)16(20)21-2/h6-7,10-11,13H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate?
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117140229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).