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

C25H35N5O3 — CID 45381823

IUPACN-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
SMILESCCn1ncc2c(NC3CCCCC3)c(C3=NOC4(CCC5(CC4)OCCO5)C3)c(C)nc21
InChIInChI=1S/C25H35N5O3/c1-3-30-23-19(16-26-30)22(28-18-7-5-4-6-8-18)21(17(2)27-23)20-15-24(33-29-20)9-11-25(12-10-24)31-13-14-32-25/h16,18H,3-15H2,1-2H3,(H,27,28)
InChIKeyHYBQFBOAASTOKZ-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.68
Rot. Bonds4

About 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

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 (PubChem CID 45381823) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID45381823
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC NameN-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
SMILESCCn1ncc2c(NC3CCCCC3)c(C3=NOC4(CCC5(CC4)OCCO5)C3)c(C)nc21
InChIInChI=1S/C25H35N5O3/c1-3-30-23-19(16-26-30)22(28-18-7-5-4-6-8-18)21(17(2)27-23)20-15-24(33-29-20)9-11-25(12-10-24)31-13-14-32-25/h16,18H,3-15H2,1-2H3,(H,27,28)
InChIKeyHYBQFBOAASTOKZ-UHFFFAOYSA-N
XLogP4.68
TPSA82.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxylate
CID 86647605
3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxamide
CID 66732619
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
1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)-5-(4,9,12-trioxa-3-azadispiro[4.2.48.25]tetradec-2-en-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66732626
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
N-cyclohexyl-1-ethyl-5-[8-(methoxymethyl)-1-oxa-2-azaspiro[4.5]dec-3-en-3-yl]-6-methylpyrazolo[3,4-b]pyridin-4-amine
CID 123877830
N-cyclobutyl-1-ethyl-3-methyl-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66733180
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1ncc2c(NC3CCCCC3)c(C3=NOC4(CCC5(CC4)OCCO5)C3)c(C)nc21.
What is the InChIKey of 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?
The InChIKey is HYBQFBOAASTOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-3-30-23-19(16-26-30)22(28-18-7-5-4-6-8-18)21(17(2)27-23)20-15-24(33-29-20)9-11-25(12-10-24)31-13-14-32-25/h16,18H,3-15H2,1-2H3,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 453.59 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 45381823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).