[(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone

C14H15F2N3O3 — CID 164633785

IUPAC[(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCOc1cccn2ncc(C(=O)N3C[C@@H](O)CC(F)(F)C3)c12
InChIInChI=1S/C14H15F2N3O3/c1-22-11-3-2-4-19-12(11)10(6-17-19)13(21)18-7-9(20)5-14(15,16)8-18/h2-4,6,9,20H,5,7-8H2,1H3/t9-/m0/s1
InChIKeyWTQVJKWDIMCUHX-VIFPVBQESA-N
MW311.29 g/mol
LogP1.18
Rot. Bonds2

About [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone

[(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 164633785) has the molecular formula C14H15F2N3O3 and a molecular weight of 311.29 g/mol. Its IUPAC name is [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID164633785
Molecular FormulaC14H15F2N3O3
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name[(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCOc1cccn2ncc(C(=O)N3C[C@@H](O)CC(F)(F)C3)c12
InChIInChI=1S/C14H15F2N3O3/c1-22-11-3-2-4-19-12(11)10(6-17-19)13(21)18-7-9(20)5-14(15,16)8-18/h2-4,6,9,20H,5,7-8H2,1H3/t9-/m0/s1
InChIKeyWTQVJKWDIMCUHX-VIFPVBQESA-N
XLogP1.18
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone 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 [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone (CID 164633785) is [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone is COc1cccn2ncc(C(=O)N3C[C@@H](O)CC(F)(F)C3)c12.
What is the InChIKey of [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is WTQVJKWDIMCUHX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15F2N3O3/c1-22-11-3-2-4-19-12(11)10(6-17-19)13(21)18-7-9(20)5-14(15,16)8-18/h2-4,6,9,20H,5,7-8H2,1H3/t9-/m0/s1.
What are the key properties of [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
[(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 311.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3,3-difluoro-5-hydroxypiperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 164633785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).