methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

C14H18N4O2 — CID 117254781

IUPACmethyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CCNC2)n2cccc(N)c12
InChIInChI=1S/C14H18N4O2/c1-20-14(19)12-13-10(15)3-2-6-18(13)11(17-12)7-9-4-5-16-8-9/h2-3,6,9,16H,4-5,7-8,15H2,1H3
InChIKeyREVSQJWHICOMKS-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.86
Rot. Bonds3

About methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254781) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254781
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CCNC2)n2cccc(N)c12
InChIInChI=1S/C14H18N4O2/c1-20-14(19)12-13-10(15)3-2-6-18(13)11(17-12)7-9-4-5-16-8-9/h2-3,6,9,16H,4-5,7-8,15H2,1H3
InChIKeyREVSQJWHICOMKS-UHFFFAOYSA-N
XLogP0.86
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 8-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254722
8-amino-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254798
methyl 3-(azetidin-3-ylmethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117254749
methyl 6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253635
methyl 8-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254701
methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253607
methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254732
1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254778
8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255640
3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147434
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044

Frequently Asked Questions

What is the IUPAC name of methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 117254781) is methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC2CCNC2)n2cccc(N)c12.
What is the InChIKey of methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is REVSQJWHICOMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-14(19)12-13-10(15)3-2-6-18(13)11(17-12)7-9-4-5-16-8-9/h2-3,6,9,16H,4-5,7-8,15H2,1H3.
What are the key properties of methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).