2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one

C19H24N4O — CID 135939601

IUPAC2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCC(C)CN1CCCC(c2cc3[nH]c(=O)c4ccccc4n3n2)C1
InChIInChI=1S/C19H24N4O/c1-13(2)11-22-9-5-6-14(12-22)16-10-18-20-19(24)15-7-3-4-8-17(15)23(18)21-16/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,20,24)
InChIKeyMIPWICHMXREICN-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.01
Rot. Bonds3

About 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one

2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135939601) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135939601
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCC(C)CN1CCCC(c2cc3[nH]c(=O)c4ccccc4n3n2)C1
InChIInChI=1S/C19H24N4O/c1-13(2)11-22-9-5-6-14(12-22)16-10-18-20-19(24)15-7-3-4-8-17(15)23(18)21-16/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,20,24)
InChIKeyMIPWICHMXREICN-UHFFFAOYSA-N
XLogP3.01
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135939601) is 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one is CC(C)CN1CCCC(c2cc3[nH]c(=O)c4ccccc4n3n2)C1.
What is the InChIKey of 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is MIPWICHMXREICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(2)11-22-9-5-6-14(12-22)16-10-18-20-19(24)15-7-3-4-8-17(15)23(18)21-16/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,20,24).
What are the key properties of 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 324.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135939601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).