methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate

C14H18N4O3 — CID 61409505

IUPACmethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H18N4O3/c1-5-18(8-12(19)21-4)14(20)10-6-11-9(2)16-17(3)13(11)15-7-10/h6-7H,5,8H2,1-4H3
InChIKeyYXIJWCQPHYLVHG-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.91
Rot. Bonds4

About methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate

methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate (PubChem CID 61409505) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate
PubChem CID61409505
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Namemethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H18N4O3/c1-5-18(8-12(19)21-4)14(20)10-6-11-9(2)16-17(3)13(11)15-7-10/h6-7H,5,8H2,1-4H3
InChIKeyYXIJWCQPHYLVHG-UHFFFAOYSA-N
XLogP0.91
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate (CID 61409505) is methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate?
The InChIKey is YXIJWCQPHYLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-5-18(8-12(19)21-4)14(20)10-6-11-9(2)16-17(3)13(11)15-7-10/h6-7H,5,8H2,1-4H3.
What are the key properties of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate?
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate has a molecular weight of 290.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 61409505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).