2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole

C19H24N6S — CID 70694268

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole
SMILESc1cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n2nccc2c1
InChIInChI=1S/C19H24N6S/c1-2-11-23(12-3-1)15-8-13-24(14-9-15)19-22-21-18(26-19)17-6-4-5-16-7-10-20-25(16)17/h4-7,10,15H,1-3,8-9,11-14H2
InChIKeyWKJCIXHKTZXDED-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.31
Rot. Bonds3

About 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole

2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole (PubChem CID 70694268) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole
PubChem CID70694268
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole
SMILESc1cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n2nccc2c1
InChIInChI=1S/C19H24N6S/c1-2-11-23(12-3-1)15-8-13-24(14-9-15)19-22-21-18(26-19)17-6-4-5-16-7-10-20-25(16)17/h4-7,10,15H,1-3,8-9,11-14H2
InChIKeyWKJCIXHKTZXDED-UHFFFAOYSA-N
XLogP3.31
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole (CID 70694268) is 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole is c1cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n2nccc2c1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole?
The InChIKey is WKJCIXHKTZXDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-2-11-23(12-3-1)15-8-13-24(14-9-15)19-22-21-18(26-19)17-6-4-5-16-7-10-20-25(16)17/h4-7,10,15H,1-3,8-9,11-14H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole?
2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole has a molecular weight of 368.51 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole is sourced from PubChem (CID 70694268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).