ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate

C11H12N6O2 — CID 71427006

IUPACethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(CN=[N+]=[N-])c2cccnc21
InChIInChI=1S/C11H12N6O2/c1-2-19-10(18)7-17-11-8(4-3-5-13-11)9(15-17)6-14-16-12/h3-5H,2,6-7H2,1H3
InChIKeyFHMGPMZHKRXLAQ-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.80
Rot. Bonds5

About ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate

ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate (PubChem CID 71427006) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate
PubChem CID71427006
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(CN=[N+]=[N-])c2cccnc21
InChIInChI=1S/C11H12N6O2/c1-2-19-10(18)7-17-11-8(4-3-5-13-11)9(15-17)6-14-16-12/h3-5H,2,6-7H2,1H3
InChIKeyFHMGPMZHKRXLAQ-UHFFFAOYSA-N
XLogP1.80
TPSA105.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethylpyrazolo[3,4-b]pyridin-1-yl)acetic acid
CID 143383912
ethyl 2-(3-nitropyrrolo[2,3-b]pyridin-1-yl)acetate
CID 14490470
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-1-oxophthalazin-2-yl]acetate
CID 75123935
ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
CID 15744738
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 166256644
2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
CID 71009624
ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate
CID 10890940
ethyl 2-[4-[(1-methylindol-3-yl)methyl]-1-oxophthalazin-2-yl]acetate
CID 46175682
ethyl 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)acetate
CID 82017351
ethyl 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
CID 6619883
ethyl 2-[3,5-bis(4-methylphenyl)pyrazol-1-yl]acetate
CID 19586238

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate (CID 71427006) is ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate is CCOC(=O)Cn1nc(CN=[N+]=[N-])c2cccnc21.
What is the InChIKey of ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate?
The InChIKey is FHMGPMZHKRXLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-2-19-10(18)7-17-11-8(4-3-5-13-11)9(15-17)6-14-16-12/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate?
ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate has a molecular weight of 260.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate is sourced from PubChem (CID 71427006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).