2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide

C25H27FN6O3 — CID 54755986

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide
SMILESCOc1ccc(N2CCc3c(NC(=O)CN4CCN(c5ccc(F)cc5)CC4)n[nH]c3C2=O)cc1
InChIInChI=1S/C25H27FN6O3/c1-35-20-8-6-19(7-9-20)32-11-10-21-23(25(32)34)28-29-24(21)27-22(33)16-30-12-14-31(15-13-30)18-4-2-17(26)3-5-18/h2-9H,10-16H2,1H3,(H2,27,28,29,33)
InChIKeyJPDGTFJWWSKFOP-UHFFFAOYSA-N
MW478.53 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide (PubChem CID 54755986) has the molecular formula C25H27FN6O3 and a molecular weight of 478.53 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide
PubChem CID54755986
Molecular FormulaC25H27FN6O3
Molecular Weight478.53 g/mol
Exact Mass478.21
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide
SMILESCOc1ccc(N2CCc3c(NC(=O)CN4CCN(c5ccc(F)cc5)CC4)n[nH]c3C2=O)cc1
InChIInChI=1S/C25H27FN6O3/c1-35-20-8-6-19(7-9-20)32-11-10-21-23(25(32)34)28-29-24(21)27-22(33)16-30-12-14-31(15-13-30)18-4-2-17(26)3-5-18/h2-9H,10-16H2,1H3,(H2,27,28,29,33)
InChIKeyJPDGTFJWWSKFOP-UHFFFAOYSA-N
XLogP2.52
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide
CID 54755987
3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide
CID 142710470
N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 54756341
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 54466738
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46666038
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 22198635
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide (CID 54755986) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide is COc1ccc(N2CCc3c(NC(=O)CN4CCN(c5ccc(F)cc5)CC4)n[nH]c3C2=O)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide?
The InChIKey is JPDGTFJWWSKFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O3/c1-35-20-8-6-19(7-9-20)32-11-10-21-23(25(32)34)28-29-24(21)27-22(33)16-30-12-14-31(15-13-30)18-4-2-17(26)3-5-18/h2-9H,10-16H2,1H3,(H2,27,28,29,33).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide has a molecular weight of 478.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 54755986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).