ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate

C18H25N5O3 — CID 133466557

IUPACethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1NC1CCN(C(=O)CC)C1
InChIInChI=1S/C18H25N5O3/c1-5-14(24)23-8-7-12(10-23)20-16-13(18(25)26-6-2)9-19-17-15(16)11(3)21-22(17)4/h9,12H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyNHQGODFDOFAFSA-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.88
Rot. Bonds5

About ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 133466557) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID133466557
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nameethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1NC1CCN(C(=O)CC)C1
InChIInChI=1S/C18H25N5O3/c1-5-14(24)23-8-7-12(10-23)20-16-13(18(25)26-6-2)9-19-17-15(16)11(3)21-22(17)4/h9,12H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyNHQGODFDOFAFSA-UHFFFAOYSA-N
XLogP1.88
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 66733175
ethyl 4-[(1-ethylpiperidin-4-yl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466163
ethyl 1,3-dimethyl-4-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133457787
ethyl 4-(4-anilinopiperidin-1-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133456924
4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 87129251
1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114546940
ethyl 1,3-dimethyl-4-[[(E)-pent-3-enyl]amino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458162
1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937633
ethyl 1,3-dimethyl-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133442414
ethyl 4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133457825
1,3-dimethyl-4-[(2-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937632
ethyl 4-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458144

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate (CID 133466557) is ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C)c1NC1CCN(C(=O)CC)C1.
What is the InChIKey of ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is NHQGODFDOFAFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-5-14(24)23-8-7-12(10-23)20-16-13(18(25)26-6-2)9-19-17-15(16)11(3)21-22(17)4/h9,12H,5-8,10H2,1-4H3,(H,19,20).
What are the key properties of ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 133466557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).