ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate

C14H20N4O4 — CID 137256858

IUPACethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1nn(C)c2c1C(C)CC(=O)N2
InChIInChI=1S/C14H20N4O4/c1-4-22-11(21)6-5-9(19)15-13-12-8(2)7-10(20)16-14(12)18(3)17-13/h8H,4-7H2,1-3H3,(H,16,20)(H,15,17,19)
InChIKeyXRADPQMYMIWPAL-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.15
Rot. Bonds5

About ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate

ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate (PubChem CID 137256858) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate
PubChem CID137256858
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Nameethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1nn(C)c2c1C(C)CC(=O)N2
InChIInChI=1S/C14H20N4O4/c1-4-22-11(21)6-5-9(19)15-13-12-8(2)7-10(20)16-14(12)18(3)17-13/h8H,4-7H2,1-3H3,(H,16,20)(H,15,17,19)
InChIKeyXRADPQMYMIWPAL-UHFFFAOYSA-N
XLogP1.15
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate (CID 137256858) is ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1nn(C)c2c1C(C)CC(=O)N2.
What is the InChIKey of ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate?
The InChIKey is XRADPQMYMIWPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-4-22-11(21)6-5-9(19)15-13-12-8(2)7-10(20)16-14(12)18(3)17-13/h8H,4-7H2,1-3H3,(H,16,20)(H,15,17,19).
What are the key properties of ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate?
ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate has a molecular weight of 308.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 137256858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).