N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C24H24FN5O3 — CID 5309292

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H24FN5O3/c25-19-6-2-3-7-20(19)29-13-11-28(12-14-29)10-9-26-22(31)16-30-23-17-5-1-4-8-21(17)33-24(32)18(23)15-27-30/h1-8,15H,9-14,16H2,(H,26,31)
InChIKeyYWISUPNJYDTXBU-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.22
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 5309292) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID5309292
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H24FN5O3/c25-19-6-2-3-7-20(19)29-13-11-28(12-14-29)10-9-26-22(31)16-30-23-17-5-1-4-8-21(17)33-24(32)18(23)15-27-30/h1-8,15H,9-14,16H2,(H,26,31)
InChIKeyYWISUPNJYDTXBU-UHFFFAOYSA-N
XLogP2.22
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 5309260
N-(4-Chloro-3-Methoxyphenyl)-2-(4-Oxochromeno[4,3-C]pyrazol-1(4h)-Yl)acetamide
CID 73332002
ST51001558
CID 342056
1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromeno[4,3-c]pyrazol-4(1H)-one
CID 3243491
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5309822
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
Methyl 2-{1-methyl-1H,4H-chromeno[4,3-C]pyrazole-3-amido}benzoate
CID 16017038
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855484
N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
CID 46833077
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 59004228
N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 89031601

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 5309292) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is YWISUPNJYDTXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c25-19-6-2-3-7-20(19)29-13-11-28(12-14-29)10-9-26-22(31)16-30-23-17-5-1-4-8-21(17)33-24(32)18(23)15-27-30/h1-8,15H,9-14,16H2,(H,26,31).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 449.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 5309292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).