N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H23N5O3 — CID 51334513

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1=O
InChIInChI=1S/C21H23N5O3/c1-4-29-18-8-6-5-7-17(18)26-12-14(9-19(26)27)21(28)23-15-10-16-13(2)24-25(3)20(16)22-11-15/h5-8,10-11,14H,4,9,12H2,1-3H3,(H,23,28)
InChIKeyFJBVHJLPGSZDGO-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.67
Rot. Bonds5

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51334513) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51334513
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1=O
InChIInChI=1S/C21H23N5O3/c1-4-29-18-8-6-5-7-17(18)26-12-14(9-19(26)27)21(28)23-15-10-16-13(2)24-25(3)20(16)22-11-15/h5-8,10-11,14H,4,9,12H2,1-3H3,(H,23,28)
InChIKeyFJBVHJLPGSZDGO-UHFFFAOYSA-N
XLogP2.67
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 32838691
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CID 9245448
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108753799
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55711048
(3R)-N-(2,3-dimethylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2599596
1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 55635306
1-(2-ethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 51334513) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1=O.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FJBVHJLPGSZDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-4-29-18-8-6-5-7-17(18)26-12-14(9-19(26)27)21(28)23-15-10-16-13(2)24-25(3)20(16)22-11-15/h5-8,10-11,14H,4,9,12H2,1-3H3,(H,23,28).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51334513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).