8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one

C25H36N2O3 — CID 170081416

IUPAC8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one
SMILESCOc1ccn2nc(CCCCC(=O)CC(C)(O)C3CCCC3)c(C3CCC3)c2c1
InChIInChI=1S/C25H36N2O3/c1-25(29,19-10-3-4-11-19)17-20(28)12-5-6-13-22-24(18-8-7-9-18)23-16-21(30-2)14-15-27(23)26-22/h14-16,18-19,29H,3-13,17H2,1-2H3
InChIKeyALAVVDBFWLPQFL-UHFFFAOYSA-N
MW412.57 g/mol
LogP5.22
Rot. Bonds10

About 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one

8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one (PubChem CID 170081416) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one.

Molecular Properties

Compound Name8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one
PubChem CID170081416
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one
SMILESCOc1ccn2nc(CCCCC(=O)CC(C)(O)C3CCCC3)c(C3CCC3)c2c1
InChIInChI=1S/C25H36N2O3/c1-25(29,19-10-3-4-11-19)17-20(28)12-5-6-13-22-24(18-8-7-9-18)23-16-21(30-2)14-15-27(23)26-22/h14-16,18-19,29H,3-13,17H2,1-2H3
InChIKeyALAVVDBFWLPQFL-UHFFFAOYSA-N
XLogP5.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-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 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one?
The IUPAC name of 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one (CID 170081416) is 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one.
What is the SMILES notation for 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one?
The canonical SMILES for 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one is COc1ccn2nc(CCCCC(=O)CC(C)(O)C3CCCC3)c(C3CCC3)c2c1.
What is the InChIKey of 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one?
The InChIKey is ALAVVDBFWLPQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-25(29,19-10-3-4-11-19)17-20(28)12-5-6-13-22-24(18-8-7-9-18)23-16-21(30-2)14-15-27(23)26-22/h14-16,18-19,29H,3-13,17H2,1-2H3.
What are the key properties of 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one?
8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one has a molecular weight of 412.57 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one is sourced from PubChem (CID 170081416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).