methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

C21H20N4O4 — CID 109068137

IUPACmethyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc(C(=O)N2CCCC2)n2ccccc12
InChIInChI=1S/C21H20N4O4/c1-29-21(28)14-8-2-3-9-15(14)22-19(26)17-16-10-4-5-13-25(16)18(23-17)20(27)24-11-6-7-12-24/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,22,26)
InChIKeyCRYMIGPDRDLKKC-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.61
Rot. Bonds4

About methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate

methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (PubChem CID 109068137) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
PubChem CID109068137
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Namemethyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc(C(=O)N2CCCC2)n2ccccc12
InChIInChI=1S/C21H20N4O4/c1-29-21(28)14-8-2-3-9-15(14)22-19(26)17-16-10-4-5-13-25(16)18(23-17)20(27)24-11-6-7-12-24/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,22,26)
InChIKeyCRYMIGPDRDLKKC-UHFFFAOYSA-N
XLogP2.61
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071771
N-(2-ethoxyphenyl)-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068537
3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071776
3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071760
methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109067086
N-(5-methyl-1,2-oxazol-3-yl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068154
N-tert-butyl-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068496
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
3-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066186
3-(4-ethylpiperazine-1-carbonyl)-N-(2-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070037
N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068119
1-(piperidine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066328

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate (CID 109068137) is methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nc(C(=O)N2CCCC2)n2ccccc12.
What is the InChIKey of methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
The InChIKey is CRYMIGPDRDLKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-29-21(28)14-8-2-3-9-15(14)22-19(26)17-16-10-4-5-13-25(16)18(23-17)20(27)24-11-6-7-12-24/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,22,26).
What are the key properties of methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate?
methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate has a molecular weight of 392.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 109068137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).