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

C19H19N5OS — CID 66732911

IUPAC1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CSC4)C3)cnc21
InChIInChI=1S/C19H19N5OS/c1-2-24-18-15(10-21-24)17(22-13-6-4-3-5-7-13)14(9-20-18)16-8-19(25-23-16)11-26-12-19/h3-7,9-10H,2,8,11-12H2,1H3,(H,20,22)
InChIKeyCNAJSKCUEUMFTA-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.80
Rot. Bonds4

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

1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 66732911) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID66732911
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CSC4)C3)cnc21
InChIInChI=1S/C19H19N5OS/c1-2-24-18-15(10-21-24)17(22-13-6-4-3-5-7-13)14(9-20-18)16-8-19(25-23-16)11-26-12-19/h3-7,9-10H,2,8,11-12H2,1H3,(H,20,22)
InChIKeyCNAJSKCUEUMFTA-UHFFFAOYSA-N
XLogP3.80
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,2-dihydroxy-5-oxa-2λ4-thia-6-azaspiro[3.4]oct-6-en-7-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66732374
1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one
CID 66732381
1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66624982
N-cyclohexyl-1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66732523
3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-amine
CID 66732731
7-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxylic acid
CID 66733084
4-[[1-ethyl-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)pyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-one
CID 66732777
N-(1-cyclopentylpiperidin-4-yl)-1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66733050
4-[[1-ethyl-5-[2-(ethylcarbamoyl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 66732604
N-(1,1-dioxothian-4-yl)-1-ethyl-5-(2-methoxy-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66732561
N-[7-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-5-oxa-6-azaspiro[3.4]oct-6-en-2-yl]acetamide
CID 66732925
3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide
CID 67220573

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine (CID 66732911) is 1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CSC4)C3)cnc21.
What is the InChIKey of 1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is CNAJSKCUEUMFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-2-24-18-15(10-21-24)17(22-13-6-4-3-5-7-13)14(9-20-18)16-8-19(25-23-16)11-26-12-19/h3-7,9-10H,2,8,11-12H2,1H3,(H,20,22).
What are the key properties of 1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 365.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 66732911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).