7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one

C19H20N4O2 — CID 18167928

IUPAC7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCN(c4cnccn4)CC3)cc(=O)oc2c1
InChIInChI=1S/C19H20N4O2/c1-14-2-3-16-15(11-19(24)25-17(16)10-14)13-22-6-8-23(9-7-22)18-12-20-4-5-21-18/h2-5,10-12H,6-9,13H2,1H3
InChIKeyBDEVIPDWXPFELK-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.21
Rot. Bonds3

About 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one

7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one (PubChem CID 18167928) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
PubChem CID18167928
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCN(c4cnccn4)CC3)cc(=O)oc2c1
InChIInChI=1S/C19H20N4O2/c1-14-2-3-16-15(11-19(24)25-17(16)10-14)13-22-6-8-23(9-7-22)18-12-20-4-5-21-18/h2-5,10-12H,6-9,13H2,1H3
InChIKeyBDEVIPDWXPFELK-UHFFFAOYSA-N
XLogP2.21
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

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4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-7-methylchromen-2-one
CID 30668836
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7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
CID 34725525
2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide
CID 171914096
N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 46367791
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7-methyl-4-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]chromen-2-one
CID 17250966
N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 17251263
7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one
CID 71705009
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one (CID 18167928) is 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one is Cc1ccc2c(CN3CCN(c4cnccn4)CC3)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one?
The InChIKey is BDEVIPDWXPFELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-2-3-16-15(11-19(24)25-17(16)10-14)13-22-6-8-23(9-7-22)18-12-20-4-5-21-18/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one?
7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 18167928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).