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

C17H23N3O3 — CID 164640238

IUPAC[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCCOC[C@H]1CCCN(C(=O)c2cnn3cccc(OC)c23)C1
InChIInChI=1S/C17H23N3O3/c1-3-23-12-13-6-4-8-19(11-13)17(21)14-10-18-20-9-5-7-15(22-2)16(14)20/h5,7,9-10,13H,3-4,6,8,11-12H2,1-2H3/t13-/m0/s1
InChIKeyDKGUJQRCTPXTST-ZDUSSCGKSA-N
MW317.39 g/mol
LogP2.23
Rot. Bonds5

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

[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 164640238) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID164640238
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCCOC[C@H]1CCCN(C(=O)c2cnn3cccc(OC)c23)C1
InChIInChI=1S/C17H23N3O3/c1-3-23-12-13-6-4-8-19(11-13)17(21)14-10-18-20-9-5-7-15(22-2)16(14)20/h5,7,9-10,13H,3-4,6,8,11-12H2,1-2H3/t13-/m0/s1
InChIKeyDKGUJQRCTPXTST-ZDUSSCGKSA-N
XLogP2.23
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(ethoxymethyl)piperidin-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 [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone (CID 164640238) is [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone is CCOC[C@H]1CCCN(C(=O)c2cnn3cccc(OC)c23)C1.
What is the InChIKey of [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is DKGUJQRCTPXTST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-23-12-13-6-4-8-19(11-13)17(21)14-10-18-20-9-5-7-15(22-2)16(14)20/h5,7,9-10,13H,3-4,6,8,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(4-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 164640238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).