4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

C23H22FN5OS — CID 91818062

IUPAC4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C23H22FN5OS/c24-17-5-3-15(4-6-17)16-12-20(25-14-16)23(30)26-18-7-9-29(10-8-18)22-13-19(27-28-22)21-2-1-11-31-21/h1-6,11-14,18,25H,7-10H2,(H,26,30)(H,27,28)
InChIKeyLVIXZMKPZQWQIQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.67
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 91818062) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID91818062
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC Name4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C23H22FN5OS/c24-17-5-3-15(4-6-17)16-12-20(25-14-16)23(30)26-18-7-9-29(10-8-18)22-13-19(27-28-22)21-2-1-11-31-21/h1-6,11-14,18,25H,7-10H2,(H,26,30)(H,27,28)
InChIKeyLVIXZMKPZQWQIQ-UHFFFAOYSA-N
XLogP4.67
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (CID 91818062) is 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(-c2ccc(F)cc2)c[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is LVIXZMKPZQWQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS/c24-17-5-3-15(4-6-17)16-12-20(25-14-16)23(30)26-18-7-9-29(10-8-18)22-13-19(27-28-22)21-2-1-11-31-21/h1-6,11-14,18,25H,7-10H2,(H,26,30)(H,27,28).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91818062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).