2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C16H17N5O2 — CID 135965961

IUPAC2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1
InChIInChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)16(23)12-10-14-17-15(22)11-4-2-3-5-13(11)21(14)18-12/h2-5,10H,6-9H2,1H3,(H,17,22)
InChIKeyKMMZBWKDWPZCOB-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.56
Rot. Bonds1

About 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135965961) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135965961
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1
InChIInChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)16(23)12-10-14-17-15(22)11-4-2-3-5-13(11)21(14)18-12/h2-5,10H,6-9H2,1H3,(H,17,22)
InChIKeyKMMZBWKDWPZCOB-UHFFFAOYSA-N
XLogP0.56
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135965961) is 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is CN1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is KMMZBWKDWPZCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)16(23)12-10-14-17-15(22)11-4-2-3-5-13(11)21(14)18-12/h2-5,10H,6-9H2,1H3,(H,17,22).
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 311.34 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135965961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).