7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

C18H22ClN9O2 — CID 137026327

IUPAC7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCC(C)(c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1)n1cncn1.Cl
InChIInChI=1S/C18H21N9O2.ClH/c1-18(2,26-10-20-9-22-26)17-25-24-16(29-17)12-8-21-27-13(7-14(28)23-15(12)27)11-3-5-19-6-4-11;/h7-11,19H,3-6H2,1-2H3,(H,23,28);1H
InChIKeyTXOAGURVNNTGJQ-UHFFFAOYSA-N
MW431.89 g/mol
LogP1.34
Rot. Bonds4

About 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137026327) has the molecular formula C18H22ClN9O2 and a molecular weight of 431.89 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137026327
Molecular FormulaC18H22ClN9O2
Molecular Weight431.89 g/mol
Exact Mass431.16
IUPAC Name7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCC(C)(c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1)n1cncn1.Cl
InChIInChI=1S/C18H21N9O2.ClH/c1-18(2,26-10-20-9-22-26)17-25-24-16(29-17)12-8-21-27-13(7-14(28)23-15(12)27)11-3-5-19-6-4-11;/h7-11,19H,3-6H2,1-2H3,(H,23,28);1H
InChIKeyTXOAGURVNNTGJQ-UHFFFAOYSA-N
XLogP1.34
TPSA131.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137026327) is 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is CC(C)(c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1)n1cncn1.Cl.
What is the InChIKey of 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is TXOAGURVNNTGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O2.ClH/c1-18(2,26-10-20-9-22-26)17-25-24-16(29-17)12-8-21-27-13(7-14(28)23-15(12)27)11-3-5-19-6-4-11;/h7-11,19H,3-6H2,1-2H3,(H,23,28);1H.
What are the key properties of 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 431.89 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137026327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).