ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate

C19H26N4O2 — CID 133475735

IUPACethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1N1CCC2(CCC(C)C2)C1
InChIInChI=1S/C19H26N4O2/c1-4-25-18(24)15-10-20-17-14(11-21-22(17)3)16(15)23-8-7-19(12-23)6-5-13(2)9-19/h10-11,13H,4-9,12H2,1-3H3
InChIKeyKJSGGHQQTRJVHI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.16
Rot. Bonds3

About ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 133475735) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID133475735
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nameethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1N1CCC2(CCC(C)C2)C1
InChIInChI=1S/C19H26N4O2/c1-4-25-18(24)15-10-20-17-14(11-21-22(17)3)16(15)23-8-7-19(12-23)6-5-13(2)9-19/h10-11,13H,4-9,12H2,1-3H3
InChIKeyKJSGGHQQTRJVHI-UHFFFAOYSA-N
XLogP3.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 1-methyl-4-[(3R)-3-methylsulfanylazepan-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 99624269
ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133475795
ethyl 1-methyl-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133475802
ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 135272181
4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114678908
1-(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047467
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
CID 133410698
ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 163201437
1-(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048537
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 6-fluoro-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-8-methylquinoline-3-carboxylate
CID 133410718
3-amino-1-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324447

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 133475735) is ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2C)c1N1CCC2(CCC(C)C2)C1.
What is the InChIKey of ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is KJSGGHQQTRJVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-25-18(24)15-10-20-17-14(11-21-22(17)3)16(15)23-8-7-19(12-23)6-5-13(2)9-19/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 133475735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).