2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline

C27H24N4S — CID 162650545

IUPAC2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline
SMILESc1ccc(-c2cc(-c3ccn(C4CCNCC4)n3)c3cccc(-c4cccs4)c3n2)cc1
InChIInChI=1S/C27H24N4S/c1-2-6-19(7-3-1)25-18-23(24-13-16-31(30-24)20-11-14-28-15-12-20)21-8-4-9-22(27(21)29-25)26-10-5-17-32-26/h1-10,13,16-18,20,28H,11-12,14-15H2
InChIKeyKPAURQXRWWTAGL-UHFFFAOYSA-N
MW436.58 g/mol
LogP6.42
Rot. Bonds4

About 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline

2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline (PubChem CID 162650545) has the molecular formula C27H24N4S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline.

Molecular Properties

Compound Name2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline
PubChem CID162650545
Molecular FormulaC27H24N4S
Molecular Weight436.58 g/mol
Exact Mass436.17
IUPAC Name2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline
SMILESc1ccc(-c2cc(-c3ccn(C4CCNCC4)n3)c3cccc(-c4cccs4)c3n2)cc1
InChIInChI=1S/C27H24N4S/c1-2-6-19(7-3-1)25-18-23(24-13-16-31(30-24)20-11-14-28-15-12-20)21-8-4-9-22(27(21)29-25)26-10-5-17-32-26/h1-10,13,16-18,20,28H,11-12,14-15H2
InChIKeyKPAURQXRWWTAGL-UHFFFAOYSA-N
XLogP6.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline 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 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline?
The IUPAC name of 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline (CID 162650545) is 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline.
What is the SMILES notation for 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline?
The canonical SMILES for 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline is c1ccc(-c2cc(-c3ccn(C4CCNCC4)n3)c3cccc(-c4cccs4)c3n2)cc1.
What is the InChIKey of 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline?
The InChIKey is KPAURQXRWWTAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4S/c1-2-6-19(7-3-1)25-18-23(24-13-16-31(30-24)20-11-14-28-15-12-20)21-8-4-9-22(27(21)29-25)26-10-5-17-32-26/h1-10,13,16-18,20,28H,11-12,14-15H2.
What are the key properties of 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline?
2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline has a molecular weight of 436.58 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline is sourced from PubChem (CID 162650545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).