[4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate

C13H18N4O3 — CID 2819136

IUPAC[4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate
SMILESCOCc1cc(OC(=O)N(C)C)nc2c1c(C)nn2C
InChIInChI=1S/C13H18N4O3/c1-8-11-9(7-19-5)6-10(20-13(18)16(2)3)14-12(11)17(4)15-8/h6H,7H2,1-5H3
InChIKeyXIUUSVIVDUVGES-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.48
Rot. Bonds3

About [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate

[4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate (PubChem CID 2819136) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate
PubChem CID2819136
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name[4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate
SMILESCOCc1cc(OC(=O)N(C)C)nc2c1c(C)nn2C
InChIInChI=1S/C13H18N4O3/c1-8-11-9(7-19-5)6-10(20-13(18)16(2)3)14-12(11)17(4)15-8/h6H,7H2,1-5H3
InChIKeyXIUUSVIVDUVGES-UHFFFAOYSA-N
XLogP1.48
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate?
The IUPAC name of [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate (CID 2819136) is [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate?
The canonical SMILES for [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate is COCc1cc(OC(=O)N(C)C)nc2c1c(C)nn2C.
What is the InChIKey of [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate?
The InChIKey is XIUUSVIVDUVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-11-9(7-19-5)6-10(20-13(18)16(2)3)14-12(11)17(4)15-8/h6H,7H2,1-5H3.
What are the key properties of [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate?
[4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate has a molecular weight of 278.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 2819136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).