5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C13H15N3O4 — CID 118981432

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccn2ncc(C(=O)O)c2c1
InChIInChI=1S/C13H15N3O4/c1-13(2,3)20-12(19)15-8-4-5-16-10(6-8)9(7-14-16)11(17)18/h4-7H,1-3H3,(H,15,19)(H,17,18)
InChIKeyGWKJWULJGAECIT-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.38
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 118981432) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID118981432
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccn2ncc(C(=O)O)c2c1
InChIInChI=1S/C13H15N3O4/c1-13(2,3)20-12(19)15-8-4-5-16-10(6-8)9(7-14-16)11(17)18/h4-7H,1-3H3,(H,15,19)(H,17,18)
InChIKeyGWKJWULJGAECIT-UHFFFAOYSA-N
XLogP2.38
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 118981432) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)Nc1ccn2ncc(C(=O)O)c2c1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is GWKJWULJGAECIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-13(2,3)20-12(19)15-8-4-5-16-10(6-8)9(7-14-16)11(17)18/h4-7H,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 118981432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).