2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride

C18H22ClN7O2 — CID 154905881

IUPAC2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride
SMILESCl.O=C(Cn1ccc(C2CCCNC2)n1)NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H21N7O2.ClH/c26-16(12-25-8-5-15(23-25)13-3-1-6-19-9-13)21-11-17-22-18(24-27-17)14-4-2-7-20-10-14;/h2,4-5,7-8,10,13,19H,1,3,6,9,11-12H2,(H,21,26);1H
InChIKeyCGHBWIHJZABFEI-UHFFFAOYSA-N
MW403.87 g/mol
LogP1.53
Rot. Bonds6

About 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride

2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride (PubChem CID 154905881) has the molecular formula C18H22ClN7O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride
PubChem CID154905881
Molecular FormulaC18H22ClN7O2
Molecular Weight403.87 g/mol
Exact Mass403.15
IUPAC Name2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride
SMILESCl.O=C(Cn1ccc(C2CCCNC2)n1)NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H21N7O2.ClH/c26-16(12-25-8-5-15(23-25)13-3-1-6-19-9-13)21-11-17-22-18(24-27-17)14-4-2-7-20-10-14;/h2,4-5,7-8,10,13,19H,1,3,6,9,11-12H2,(H,21,26);1H
InChIKeyCGHBWIHJZABFEI-UHFFFAOYSA-N
XLogP1.53
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride (CID 154905881) is 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride is Cl.O=C(Cn1ccc(C2CCCNC2)n1)NCc1nc(-c2cccnc2)no1.
What is the InChIKey of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride?
The InChIKey is CGHBWIHJZABFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2.ClH/c26-16(12-25-8-5-15(23-25)13-3-1-6-19-9-13)21-11-17-22-18(24-27-17)14-4-2-7-20-10-14;/h2,4-5,7-8,10,13,19H,1,3,6,9,11-12H2,(H,21,26);1H.
What are the key properties of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride?
2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride has a molecular weight of 403.87 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-3-ylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 154905881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).