4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide

C32H28F2N4O2 — CID 11533936

IUPAC4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C32H28F2N4O2/c33-24-8-4-21(5-9-24)28-26-20-27(31(39)36-16-19-38-17-2-1-3-18-38)40-32(26)37-30(23-6-10-25(34)11-7-23)29(28)22-12-14-35-15-13-22/h4-15,20H,1-3,16-19H2,(H,36,39)
InChIKeyANVFMSAONLVSIR-UHFFFAOYSA-N
MW538.60 g/mol
LogP6.72
Rot. Bonds7

About 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide

4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide (PubChem CID 11533936) has the molecular formula C32H28F2N4O2 and a molecular weight of 538.60 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
PubChem CID11533936
Molecular FormulaC32H28F2N4O2
Molecular Weight538.60 g/mol
Exact Mass538.22
IUPAC Name4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C32H28F2N4O2/c33-24-8-4-21(5-9-24)28-26-20-27(31(39)36-16-19-38-17-2-1-3-18-38)40-32(26)37-30(23-6-10-25(34)11-7-23)29(28)22-12-14-35-15-13-22/h4-15,20H,1-3,16-19H2,(H,36,39)
InChIKeyANVFMSAONLVSIR-UHFFFAOYSA-N
XLogP6.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.60
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

Bradanicline
CID 25147644
Sphinx31
CID 91972002
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
3-phenyl-2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-[2-(pyridin-3-yl)ethyl]furo[2,3-b]pyridin-4-amine
CID 11519208
3-phenyl-N-[2-(piperazin-1-yl)ethyl]-2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}furo[2,3-b]pyridin-4-amine
CID 11656606
5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxylic acid amide
CID 11316467
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
example 184 [WO2014186035]
CID 86280679
CID 16727410
CID 16727410
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 46935872
N-(1-(Pyridin-2-yl)ethyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 59636704

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide (CID 11533936) is 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide is O=C(NCCN1CCCCC1)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is ANVFMSAONLVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4O2/c33-24-8-4-21(5-9-24)28-26-20-27(31(39)36-16-19-38-17-2-1-3-18-38)40-32(26)37-30(23-6-10-25(34)11-7-23)29(28)22-12-14-35-15-13-22/h4-15,20H,1-3,16-19H2,(H,36,39).
What are the key properties of 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide?
4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 538.60 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11533936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).