2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

C22H21N5O2 — CID 135965881

IUPAC2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCN(C(=O)c2cccc(-c3cc4[nH]c(=O)c5ccccc5n4n3)c2)CC1
InChIInChI=1S/C22H21N5O2/c1-25-9-11-26(12-10-25)22(29)16-6-4-5-15(13-16)18-14-20-23-21(28)17-7-2-3-8-19(17)27(20)24-18/h2-8,13-14H,9-12H2,1H3,(H,23,28)
InChIKeyMVOJDKFPHMMCPE-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.23
Rot. Bonds2

About 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135965881) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135965881
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCN(C(=O)c2cccc(-c3cc4[nH]c(=O)c5ccccc5n4n3)c2)CC1
InChIInChI=1S/C22H21N5O2/c1-25-9-11-26(12-10-25)22(29)16-6-4-5-15(13-16)18-14-20-23-21(28)17-7-2-3-8-19(17)27(20)24-18/h2-8,13-14H,9-12H2,1H3,(H,23,28)
InChIKeyMVOJDKFPHMMCPE-UHFFFAOYSA-N
XLogP2.23
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135965881) is 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is CN1CCN(C(=O)c2cccc(-c3cc4[nH]c(=O)c5ccccc5n4n3)c2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is MVOJDKFPHMMCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-25-9-11-26(12-10-25)22(29)16-6-4-5-15(13-16)18-14-20-23-21(28)17-7-2-3-8-19(17)27(20)24-18/h2-8,13-14H,9-12H2,1H3,(H,23,28).
What are the key properties of 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 387.44 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135965881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).