N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

C26H30FN5O2 — CID 20882172

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN1CCN(c3ccc(F)cc3)CC1)CO2
InChIInChI=1S/C26H30FN5O2/c1-19-3-8-24-23(15-19)26-20(18-34-24)16-29-32(26)17-25(33)28-9-2-10-30-11-13-31(14-12-30)22-6-4-21(27)5-7-22/h3-8,15-16H,2,9-14,17-18H2,1H3,(H,28,33)
InChIKeyYKELHULVEZFYFD-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.22
Rot. Bonds7

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20882172) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20882172
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN1CCN(c3ccc(F)cc3)CC1)CO2
InChIInChI=1S/C26H30FN5O2/c1-19-3-8-24-23(15-19)26-20(18-34-24)16-29-32(26)17-25(33)28-9-2-10-30-11-13-31(14-12-30)22-6-4-21(27)5-7-22/h3-8,15-16H,2,9-14,17-18H2,1H3,(H,28,33)
InChIKeyYKELHULVEZFYFD-UHFFFAOYSA-N
XLogP3.22
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20882172) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN1CCN(c3ccc(F)cc3)CC1)CO2.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is YKELHULVEZFYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-19-3-8-24-23(15-19)26-20(18-34-24)16-29-32(26)17-25(33)28-9-2-10-30-11-13-31(14-12-30)22-6-4-21(27)5-7-22/h3-8,15-16H,2,9-14,17-18H2,1H3,(H,28,33).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 463.56 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20882172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).