1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine

C19H20N6O — CID 90691187

IUPAC1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccn3)c(C3=CC4(CCC4)ON3)cnc21
InChIInChI=1S/C19H20N6O/c1-2-25-18-14(12-22-25)17(23-16-6-3-4-9-20-16)13(11-21-18)15-10-19(26-24-15)7-5-8-19/h3-4,6,9-12,24H,2,5,7-8H2,1H3,(H,20,21,23)
InChIKeyFVDFGPYKEXAYSE-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.39
Rot. Bonds4

About 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine

1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 90691187) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID90691187
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccn3)c(C3=CC4(CCC4)ON3)cnc21
InChIInChI=1S/C19H20N6O/c1-2-25-18-14(12-22-25)17(23-16-6-3-4-9-20-16)13(11-21-18)15-10-19(26-24-15)7-5-8-19/h3-4,6,9-12,24H,2,5,7-8H2,1H3,(H,20,21,23)
InChIKeyFVDFGPYKEXAYSE-UHFFFAOYSA-N
XLogP3.39
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine with MolForge

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Related Compounds

1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine
CID 90965291
1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 91176499
N-cyclohexyl-1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 91065061
1-ethyl-N-(1-methylsulfonylpiperidin-4-yl)-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 90890342
1-[3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]ethanone
CID 91036388
5-[2-(aminomethyl)-5-oxa-6-azaspiro[3.4]oct-7-en-7-yl]-N-cyclohexyl-1-ethylpyrazolo[3,4-b]pyridin-4-amine
CID 91279074
N-[[7-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-5-oxa-6-azaspiro[3.4]oct-7-en-2-yl]methyl]acetamide
CID 91145995
3-[[1-ethyl-5-[2-(propanoylamino)-5-oxa-6-azaspiro[3.4]oct-7-en-7-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 91032237
(5S)-5-(carboxymethyl)-3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-2H-1,2-oxazole-5-carboxylic acid
CID 123189926
3-[[5-(2-cyano-5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 91465199
4-[[1-ethyl-3-methyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)pyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 90869913
4-[[5-[5,5-bis(hydroxymethyl)-2H-1,2-oxazol-3-yl]-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 123948874

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine (CID 90691187) is 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(Nc3ccccn3)c(C3=CC4(CCC4)ON3)cnc21.
What is the InChIKey of 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is FVDFGPYKEXAYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-2-25-18-14(12-22-25)17(23-16-6-3-4-9-20-16)13(11-21-18)15-10-19(26-24-15)7-5-8-19/h3-4,6,9-12,24H,2,5,7-8H2,1H3,(H,20,21,23).
What are the key properties of 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-pyridin-2-ylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 90691187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).