ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

C16H21N3O4 — CID 90134610

IUPACethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C16H21N3O4/c1-6-22-14(20)13-10(2)18-19-8-7-11(9-12(13)19)17-15(21)23-16(3,4)5/h7-9H,6H2,1-5H3,(H,17,21)
InChIKeyXSIGBYNRIGTBSH-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.17
Rot. Bonds3

About ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 90134610) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID90134610
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nameethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C16H21N3O4/c1-6-22-14(20)13-10(2)18-19-8-7-11(9-12(13)19)17-15(21)23-16(3,4)5/h7-9H,6H2,1-5H3,(H,17,21)
InChIKeyXSIGBYNRIGTBSH-UHFFFAOYSA-N
XLogP3.17
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 68503367
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate
CID 130458351
ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339
tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate
CID 90175973
tert-butyl N-(2-methylpyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 118344882
tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate
CID 160959566
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
CID 118182502
tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
CID 91971207
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
ethoxycarbonyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzenecarboperoxoate
CID 175179844
ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate
CID 156537612
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 90134610) is ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nn2ccc(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is XSIGBYNRIGTBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-6-22-14(20)13-10(2)18-19-8-7-11(9-12(13)19)17-15(21)23-16(3,4)5/h7-9H,6H2,1-5H3,(H,17,21).
What are the key properties of ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 90134610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).