3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride

C17H17ClN6O2 — CID 137031613

IUPAC3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cnn4c3[nH]c(=O)c3ccccc34)n2)CCCC1
InChIInChI=1S/C17H16N6O2.ClH/c18-17(7-3-4-8-17)16-21-15(25-22-16)11-9-19-23-12-6-2-1-5-10(12)14(24)20-13(11)23;/h1-2,5-6,9H,3-4,7-8,18H2,(H,20,24);1H
InChIKeyCDYLHMACEBTCSO-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.38
Rot. Bonds2

About 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride (PubChem CID 137031613) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
PubChem CID137031613
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cnn4c3[nH]c(=O)c3ccccc34)n2)CCCC1
InChIInChI=1S/C17H16N6O2.ClH/c18-17(7-3-4-8-17)16-21-15(25-22-16)11-9-19-23-12-6-2-1-5-10(12)14(24)20-13(11)23;/h1-2,5-6,9H,3-4,7-8,18H2,(H,20,24);1H
InChIKeyCDYLHMACEBTCSO-UHFFFAOYSA-N
XLogP2.38
TPSA115.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride?
The IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride (CID 137031613) is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride?
The canonical SMILES for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride is Cl.NC1(c2noc(-c3cnn4c3[nH]c(=O)c3ccccc34)n2)CCCC1.
What is the InChIKey of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride?
The InChIKey is CDYLHMACEBTCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2.ClH/c18-17(7-3-4-8-17)16-21-15(25-22-16)11-9-19-23-12-6-2-1-5-10(12)14(24)20-13(11)23;/h1-2,5-6,9H,3-4,7-8,18H2,(H,20,24);1H.
What are the key properties of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride?
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride has a molecular weight of 372.82 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride is sourced from PubChem (CID 137031613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).