2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine

C33H34F2N4S — CID 14013470

IUPAC2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(C(CCCN2CCC(Cc3nc4cccnc4n3Cc3cccs3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C33H34F2N4S/c34-27-11-7-25(8-12-27)30(26-9-13-28(35)14-10-26)5-2-18-38-19-15-24(16-20-38)22-32-37-31-6-1-17-36-33(31)39(32)23-29-4-3-21-40-29/h1,3-4,6-14,17,21,24,30H,2,5,15-16,18-20,22-23H2
InChIKeyZPHCOCUHQHOCFQ-UHFFFAOYSA-N
MW556.73 g/mol
LogP7.69
Rot. Bonds10

About 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine

2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 14013470) has the molecular formula C33H34F2N4S and a molecular weight of 556.73 g/mol. Its IUPAC name is 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID14013470
Molecular FormulaC33H34F2N4S
Molecular Weight556.73 g/mol
Exact Mass556.25
IUPAC Name2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(C(CCCN2CCC(Cc3nc4cccnc4n3Cc3cccs3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C33H34F2N4S/c34-27-11-7-25(8-12-27)30(26-9-13-28(35)14-10-26)5-2-18-38-19-15-24(16-20-38)22-32-37-31-6-1-17-36-33(31)39(32)23-29-4-3-21-40-29/h1,3-4,6-14,17,21,24,30H,2,5,15-16,18-20,22-23H2
InChIKeyZPHCOCUHQHOCFQ-UHFFFAOYSA-N
XLogP7.69
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.73
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine 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-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine (CID 14013470) is 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine is Fc1ccc(C(CCCN2CCC(Cc3nc4cccnc4n3Cc3cccs3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZPHCOCUHQHOCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N4S/c34-27-11-7-25(8-12-27)30(26-9-13-28(35)14-10-26)5-2-18-38-19-15-24(16-20-38)22-32-37-31-6-1-17-36-33(31)39(32)23-29-4-3-21-40-29/h1,3-4,6-14,17,21,24,30H,2,5,15-16,18-20,22-23H2.
What are the key properties of 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 556.73 g/mol, XLogP of 7.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 14013470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).