N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine

C24H34FN5O — CID 45381470

IUPACN-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCCCC3)c(C3=NOC4(CCC(CF)CC4)C3)c(C)nc21
InChIInChI=1S/C24H34FN5O/c1-3-30-23-19(15-26-30)22(28-18-7-5-4-6-8-18)21(16(2)27-23)20-13-24(31-29-20)11-9-17(14-25)10-12-24/h15,17-18H,3-14H2,1-2H3,(H,27,28)
InChIKeyMXWVGQSUANDGQY-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.53
Rot. Bonds5

About N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine

N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 45381470) has the molecular formula C24H34FN5O and a molecular weight of 427.57 g/mol. Its IUPAC name is N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID45381470
Molecular FormulaC24H34FN5O
Molecular Weight427.57 g/mol
Exact Mass427.27
IUPAC NameN-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCCCC3)c(C3=NOC4(CCC(CF)CC4)C3)c(C)nc21
InChIInChI=1S/C24H34FN5O/c1-3-30-23-19(15-26-30)22(28-18-7-5-4-6-8-18)21(16(2)27-23)20-13-24(31-29-20)11-9-17(14-25)10-12-24/h15,17-18H,3-14H2,1-2H3,(H,27,28)
InChIKeyMXWVGQSUANDGQY-UHFFFAOYSA-N
XLogP5.53
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine with MolForge

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Related Compounds

4-[[6-(Methylamino)-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclohexan-1-ol
CID 68212760
N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 162648870
4-[[6-(Butylamino)-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclohexan-1-ol
CID 68212471
4-[[3-(4-Fluorophenyl)-6-(3-phenylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclohexan-1-ol
CID 68212511
N-cyclohexyl-1-ethyl-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-4-amine
CID 45381825
N-cyclohexyl-1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-4-amine
CID 45381826
N-cyclohexyl-1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-4-amine
CID 45381827
[3-[4-(cyclohexylamino)-1-ethyl-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol
CID 45381915
3-[4-(Cyclohexylamino)-1-ethyl-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxylic acid
CID 45381916
1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-(oxan-4-yl)-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-4-amine
CID 45381917
1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)-N-(oxan-4-yl)-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-4-amine
CID 45381918
1-ethyl-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-N-(oxan-4-yl)-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-4-amine
CID 45381919

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine (CID 45381470) is N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(NC3CCCCC3)c(C3=NOC4(CCC(CF)CC4)C3)c(C)nc21.
What is the InChIKey of N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is MXWVGQSUANDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O/c1-3-30-23-19(15-26-30)22(28-18-7-5-4-6-8-18)21(16(2)27-23)20-13-24(31-29-20)11-9-17(14-25)10-12-24/h15,17-18H,3-14H2,1-2H3,(H,27,28).
What are the key properties of N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine?
N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 427.57 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-ethyl-5-[8-(fluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 45381470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).