methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C16H19N3O5 — CID 126831946

IUPACmethyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(NC(=O)COCC3CCCO3)cc12
InChIInChI=1S/C16H19N3O5/c1-22-16(21)13-8-17-19-5-4-11(7-14(13)19)18-15(20)10-23-9-12-3-2-6-24-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,18,20)
InChIKeyACZXQHHVPOTJLU-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.25
Rot. Bonds6

About methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 126831946) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID126831946
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Namemethyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(NC(=O)COCC3CCCO3)cc12
InChIInChI=1S/C16H19N3O5/c1-22-16(21)13-8-17-19-5-4-11(7-14(13)19)18-15(20)10-23-9-12-3-2-6-24-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,18,20)
InChIKeyACZXQHHVPOTJLU-UHFFFAOYSA-N
XLogP1.25
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 126831946) is methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2ccc(NC(=O)COCC3CCCO3)cc12.
What is the InChIKey of methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is ACZXQHHVPOTJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-22-16(21)13-8-17-19-5-4-11(7-14(13)19)18-15(20)10-23-9-12-3-2-6-24-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,18,20).
What are the key properties of methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 126831946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).