N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

C25H32FN7OS — CID 46335796

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccn1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C25H32FN7OS/c26-20-7-9-21(10-8-20)31-18-16-30(17-19-31)12-5-11-27-23(34)22-6-4-15-33(22)25-29-28-24(35-25)32-13-2-1-3-14-32/h4,6-10,15H,1-3,5,11-14,16-19H2,(H,27,34)
InChIKeyMPXVFGGBLAZHBD-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.40
Rot. Bonds8

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 46335796) has the molecular formula C25H32FN7OS and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID46335796
Molecular FormulaC25H32FN7OS
Molecular Weight497.64 g/mol
Exact Mass497.24
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccn1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C25H32FN7OS/c26-20-7-9-21(10-8-20)31-18-16-30(17-19-31)12-5-11-27-23(34)22-6-4-15-33(22)25-29-28-24(35-25)32-13-2-1-3-14-32/h4,6-10,15H,1-3,5,11-14,16-19H2,(H,27,34)
InChIKeyMPXVFGGBLAZHBD-UHFFFAOYSA-N
XLogP3.40
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide 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

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335708
N-(3-morpholin-4-ylpropyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335773
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 22510936
N-ethyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937089
N-(2-phenylethyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335775
N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20936990
N-[3-[butyl(ethyl)amino]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335786
1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 46335810
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid
CID 20885093
3-(azepan-1-yl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine
CID 20926620
N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937051

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (CID 46335796) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccn1-c1nnc(N2CCCCC2)s1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is MPXVFGGBLAZHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7OS/c26-20-7-9-21(10-8-20)31-18-16-30(17-19-31)12-5-11-27-23(34)22-6-4-15-33(22)25-29-28-24(35-25)32-13-2-1-3-14-32/h4,6-10,15H,1-3,5,11-14,16-19H2,(H,27,34).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 46335796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).