methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate

C19H20N4O5 — CID 55775470

IUPACmethyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1OC
InChIInChI=1S/C19H20N4O5/c1-11-14-8-13(9-20-18(14)23(2)22-11)21-19(25)12-5-6-15(26-3)16(7-12)28-10-17(24)27-4/h5-9H,10H2,1-4H3,(H,21,25)
InChIKeyQXJDUHABXRJUJA-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.09
Rot. Bonds6

About methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55775470) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55775470
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Namemethyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1OC
InChIInChI=1S/C19H20N4O5/c1-11-14-8-13(9-20-18(14)23(2)22-11)21-19(25)12-5-6-15(26-3)16(7-12)28-10-17(24)27-4/h5-9H,10H2,1-4H3,(H,21,25)
InChIKeyQXJDUHABXRJUJA-UHFFFAOYSA-N
XLogP2.09
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide
CID 51334534
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2,4-dimethoxybenzamide
CID 46538295
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 18151329
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31520021
2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
CID 18204947
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
CID 134024967
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 31520473
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46585508

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate (CID 55775470) is methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1OC.
What is the InChIKey of methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is QXJDUHABXRJUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-11-14-8-13(9-20-18(14)23(2)22-11)21-19(25)12-5-6-15(26-3)16(7-12)28-10-17(24)27-4/h5-9H,10H2,1-4H3,(H,21,25).
What are the key properties of methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 384.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55775470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).