methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate

C21H20N4O4 — CID 71797842

IUPACmethyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1
InChIInChI=1S/C21H20N4O4/c1-29-21(28)16-7-5-15(6-8-16)19(26)23-10-12-24(13-11-23)20(27)17-14-22-25-9-3-2-4-18(17)25/h2-9,14H,10-13H2,1H3
InChIKeyUAMSCARCSJCHHV-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.72
Rot. Bonds3

About methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate

methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate (PubChem CID 71797842) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate
PubChem CID71797842
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Namemethyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1
InChIInChI=1S/C21H20N4O4/c1-29-21(28)16-7-5-15(6-8-16)19(26)23-10-12-24(13-11-23)20(27)17-14-22-25-9-3-2-4-18(17)25/h2-9,14H,10-13H2,1H3
InChIKeyUAMSCARCSJCHHV-UHFFFAOYSA-N
XLogP1.72
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate?
The IUPAC name of methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate (CID 71797842) is methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate?
The canonical SMILES for methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate is COC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1.
What is the InChIKey of methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate?
The InChIKey is UAMSCARCSJCHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-29-21(28)16-7-5-15(6-8-16)19(26)23-10-12-24(13-11-23)20(27)17-14-22-25-9-3-2-4-18(17)25/h2-9,14H,10-13H2,1H3.
What are the key properties of methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate?
methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate has a molecular weight of 392.42 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl]benzoate is sourced from PubChem (CID 71797842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).