methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate

C14H17N3O4 — CID 170622859

IUPACmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(NC(=O)OC(C)(C)C)cccn2n1
InChIInChI=1S/C14H17N3O4/c1-14(2,3)21-13(19)15-9-6-5-7-17-11(9)8-10(16-17)12(18)20-4/h5-8H,1-4H3,(H,15,19)
InChIKeyHJQPHABTQBCONO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.47
Rot. Bonds2

About methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 170622859) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID170622859
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(NC(=O)OC(C)(C)C)cccn2n1
InChIInChI=1S/C14H17N3O4/c1-14(2,3)21-13(19)15-9-6-5-7-17-11(9)8-10(16-17)12(18)20-4/h5-8H,1-4H3,(H,15,19)
InChIKeyHJQPHABTQBCONO-UHFFFAOYSA-N
XLogP2.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(2-methylpyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 118344882
2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 134858884
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
methyl 1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]pyrazole-3-carboxylate
CID 57327718
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylate
CID 142499829
dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate
CID 177199180
tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
CID 134485440
tert-butyl N-(1-aminoindol-4-yl)carbamate
CID 58607316
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
tert-butyl N-(1,2-dimethylindol-7-yl)carbamate
CID 174933976
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate (CID 170622859) is methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate is COC(=O)c1cc2c(NC(=O)OC(C)(C)C)cccn2n1.
What is the InChIKey of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is HJQPHABTQBCONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(2,3)21-13(19)15-9-6-5-7-17-11(9)8-10(16-17)12(18)20-4/h5-8H,1-4H3,(H,15,19).
What are the key properties of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate?
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 170622859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).