cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone

C18H22N4O — CID 110237512

IUPACcyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCCC(c2[nH]nc3ncccc23)C1
InChIInChI=1S/C18H22N4O/c23-18(13-6-2-1-3-7-13)22-11-5-8-14(12-22)16-15-9-4-10-19-17(15)21-20-16/h1-2,4,9-10,13-14H,3,5-8,11-12H2,(H,19,20,21)
InChIKeyZKXJHGRNGXKUHX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.02
Rot. Bonds2

About cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone

cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 110237512) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID110237512
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Namecyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCCC(c2[nH]nc3ncccc23)C1
InChIInChI=1S/C18H22N4O/c23-18(13-6-2-1-3-7-13)22-11-5-8-14(12-22)16-15-9-4-10-19-17(15)21-20-16/h1-2,4,9-10,13-14H,3,5-8,11-12H2,(H,19,20,21)
InChIKeyZKXJHGRNGXKUHX-UHFFFAOYSA-N
XLogP3.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 110237512) is cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone is O=C(C1CC=CCC1)N1CCCC(c2[nH]nc3ncccc23)C1.
What is the InChIKey of cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is ZKXJHGRNGXKUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(13-6-2-1-3-7-13)22-11-5-8-14(12-22)16-15-9-4-10-19-17(15)21-20-16/h1-2,4,9-10,13-14H,3,5-8,11-12H2,(H,19,20,21).
What are the key properties of cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110237512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).