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

C21H23N5O — CID 66624982

IUPAC1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CCC4)C3)c(C)nc21
InChIInChI=1S/C21H23N5O/c1-3-26-20-16(13-22-26)19(24-15-8-5-4-6-9-15)18(14(2)23-20)17-12-21(27-25-17)10-7-11-21/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,23,24)
InChIKeyGFGDSJJRNSRWFQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.55
Rot. Bonds4

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

1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 66624982) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID66624982
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CCC4)C3)c(C)nc21
InChIInChI=1S/C21H23N5O/c1-3-26-20-16(13-22-26)19(24-15-8-5-4-6-9-15)18(14(2)23-20)17-12-21(27-25-17)10-7-11-21/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,23,24)
InChIKeyGFGDSJJRNSRWFQ-UHFFFAOYSA-N
XLogP4.55
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-cyclohexyl-1-ethyl-6-methyl-5-(4,9,12-trioxa-3-azadispiro[4.2.48.25]tetradec-2-en-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 45381823
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
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
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
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
3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 141348346
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
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
tert-butyl 3-[[1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-yl]amino]cyclobutane-1-carboxylate
CID 66732708
N-cyclobutyl-1-ethyl-3-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66733088
3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxamide
CID 66732619

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 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) is 1-ethyl-6-methyl-5-(5-oxa-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-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CCC4)C3)c(C)nc21.
What is the InChIKey of 1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is GFGDSJJRNSRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-26-20-16(13-22-26)19(24-15-8-5-4-6-9-15)18(14(2)23-20)17-12-21(27-25-17)10-7-11-21/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,23,24).
What are the key properties of 1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 66624982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).