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

C13H15N3O4 — CID 134858884

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nn2ccccc2c1C(=O)O
InChIInChI=1S/C13H15N3O4/c1-13(2,3)20-12(19)14-10-9(11(17)18)8-6-4-5-7-16(8)15-10/h4-7H,1-3H3,(H,17,18)(H,14,15,19)
InChIKeyLJEIWHDSAVOTJX-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.38
Rot. Bonds2

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

2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 134858884) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID134858884
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nn2ccccc2c1C(=O)O
InChIInChI=1S/C13H15N3O4/c1-13(2,3)20-12(19)14-10-9(11(17)18)8-6-4-5-7-16(8)15-10/h4-7H,1-3H3,(H,17,18)(H,14,15,19)
InChIKeyLJEIWHDSAVOTJX-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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Related Compounds

tert-butyl N-(2-methylpyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 118344882
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 170622859
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-diphenylpyrazole-4-carboxylic acid
CID 15288287
tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate
CID 118686645
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1H-imidazole-5-carboxylic acid
CID 58182168
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
methyl 2-(pyridin-2-ylcarbamoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 134838585
tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate
CID 168896333
tert-butyl N-[(2-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]carbamate;ethane;methane
CID 177168075
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylthiophene-3-carboxylic acid
CID 59373270
ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90134610

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 134858884) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)Nc1nn2ccccc2c1C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is LJEIWHDSAVOTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-13(2,3)20-12(19)14-10-9(11(17)18)8-6-4-5-7-16(8)15-10/h4-7H,1-3H3,(H,17,18)(H,14,15,19).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
2-[(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 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 134858884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).