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

C25H37N5O2 — CID 123877830

IUPACN-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
SMILESCCn1ncc2c(NC3CCCCC3)c(C3=CC4(CCC(COC)CC4)ON3)c(C)nc21
InChIInChI=1S/C25H37N5O2/c1-4-30-24-20(15-26-30)23(28-19-8-6-5-7-9-19)22(17(2)27-24)21-14-25(32-29-21)12-10-18(11-13-25)16-31-3/h14-15,18-19,29H,4-13,16H2,1-3H3,(H,27,28)
InChIKeyNLYDTUUMLHLBNF-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.96
Rot. Bonds6

About 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

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 (PubChem CID 123877830) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID123877830
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC NameN-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
SMILESCCn1ncc2c(NC3CCCCC3)c(C3=CC4(CCC(COC)CC4)ON3)c(C)nc21
InChIInChI=1S/C25H37N5O2/c1-4-30-24-20(15-26-30)23(28-19-8-6-5-7-9-19)22(17(2)27-24)21-14-25(32-29-21)12-10-18(11-13-25)16-31-3/h14-15,18-19,29H,4-13,16H2,1-3H3,(H,27,28)
InChIKeyNLYDTUUMLHLBNF-UHFFFAOYSA-N
XLogP4.96
TPSA73.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-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
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
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
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-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
[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]methanol
CID 91479436
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
(5S)-5-(carboxymethyl)-3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-2H-1,2-oxazole-5-carboxylic acid
CID 123189926
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-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 59683229
3-[4-[(4-carboxycyclohexyl)amino]-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-3-ene-8-carboxylic acid
CID 123883351

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1ncc2c(NC3CCCCC3)c(C3=CC4(CCC(COC)CC4)ON3)c(C)nc21.
What is the InChIKey of 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?
The InChIKey is NLYDTUUMLHLBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-4-30-24-20(15-26-30)23(28-19-8-6-5-7-9-19)22(17(2)27-24)21-14-25(32-29-21)12-10-18(11-13-25)16-31-3/h14-15,18-19,29H,4-13,16H2,1-3H3,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 439.60 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123877830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).