1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione

C19H23N5O5S — CID 71797918

IUPAC1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESO=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)CCN2C(=O)CCCC2=O)CC1
InChIInChI=1S/C19H23N5O5S/c25-17-5-3-6-18(26)23(17)12-13-30(28,29)22-10-8-21(9-11-22)19(27)15-14-20-24-7-2-1-4-16(15)24/h1-2,4,7,14H,3,5-6,8-13H2
InChIKeyAAGBDLLYZKVGRL-UHFFFAOYSA-N
MW433.49 g/mol
LogP-0.04
Rot. Bonds5

About 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 71797918) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID71797918
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC Name1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESO=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)CCN2C(=O)CCCC2=O)CC1
InChIInChI=1S/C19H23N5O5S/c25-17-5-3-6-18(26)23(17)12-13-30(28,29)22-10-8-21(9-11-22)19(27)15-14-20-24-7-2-1-4-16(15)24/h1-2,4,7,14H,3,5-6,8-13H2
InChIKeyAAGBDLLYZKVGRL-UHFFFAOYSA-N
XLogP-0.04
TPSA112.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 71797918) is 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is O=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)CCN2C(=O)CCCC2=O)CC1.
What is the InChIKey of 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is AAGBDLLYZKVGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/c25-17-5-3-6-18(26)23(17)12-13-30(28,29)22-10-8-21(9-11-22)19(27)15-14-20-24-7-2-1-4-16(15)24/h1-2,4,7,14H,3,5-6,8-13H2.
What are the key properties of 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 433.49 g/mol, XLogP of -0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 71797918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).