5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C23H30N6O3 — CID 135520500

IUPAC5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CCNCC3)nc2c(=O)[nH]1
InChIInChI=1S/C23H30N6O3/c1-4-6-11-32-23-17(12-15(13-25-23)14(3)30)21-26-19-18(5-2)29(16-7-9-24-10-8-16)28-20(19)22(31)27-21/h12-13,16,24H,4-11H2,1-3H3,(H,26,27,31)
InChIKeyQATFVPYCJZQNKE-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.05
Rot. Bonds8

About 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135520500) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135520500
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CCNCC3)nc2c(=O)[nH]1
InChIInChI=1S/C23H30N6O3/c1-4-6-11-32-23-17(12-15(13-25-23)14(3)30)21-26-19-18(5-2)29(16-7-9-24-10-8-16)28-20(19)22(31)27-21/h12-13,16,24H,4-11H2,1-3H3,(H,26,27,31)
InChIKeyQATFVPYCJZQNKE-UHFFFAOYSA-N
XLogP3.05
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135520500) is 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CCNCC3)nc2c(=O)[nH]1.
What is the InChIKey of 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is QATFVPYCJZQNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-4-6-11-32-23-17(12-15(13-25-23)14(3)30)21-26-19-18(5-2)29(16-7-9-24-10-8-16)28-20(19)22(31)27-21/h12-13,16,24H,4-11H2,1-3H3,(H,26,27,31).
What are the key properties of 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 438.53 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-piperidin-4-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135520500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).