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

C25H36N6O — CID 66733050

IUPACN-(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
SMILESCCn1ncc2c(NC3CCN(C4CCCC4)CC3)c(C3=NOC4(CCCC4)C3)cnc21
InChIInChI=1S/C25H36N6O/c1-2-31-24-21(17-27-31)23(28-18-9-13-30(14-10-18)19-7-3-4-8-19)20(16-26-24)22-15-25(32-29-22)11-5-6-12-25/h16-19H,2-15H2,1H3,(H,26,28)
InChIKeyWMCAGYDXCBHFCJ-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.71
Rot. Bonds5

About 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

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 (PubChem CID 66733050) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID66733050
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC NameN-(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
SMILESCCn1ncc2c(NC3CCN(C4CCCC4)CC3)c(C3=NOC4(CCCC4)C3)cnc21
InChIInChI=1S/C25H36N6O/c1-2-31-24-21(17-27-31)23(28-18-9-13-30(14-10-18)19-7-3-4-8-19)20(16-26-24)22-15-25(32-29-22)11-5-6-12-25/h16-19H,2-15H2,1H3,(H,26,28)
InChIKeyWMCAGYDXCBHFCJ-UHFFFAOYSA-N
XLogP4.71
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1ncc2c(NC3CCN(C4CCCC4)CC3)c(C3=NOC4(CCCC4)C3)cnc21.
What is the InChIKey of 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?
The InChIKey is WMCAGYDXCBHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-2-31-24-21(17-27-31)23(28-18-9-13-30(14-10-18)19-7-3-4-8-19)20(16-26-24)22-15-25(32-29-22)11-5-6-12-25/h16-19H,2-15H2,1H3,(H,26,28).
What are the key properties of 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?
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 has a molecular weight of 436.60 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66733050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).