5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine

C22H18FN3S — CID 167507024

IUPAC5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine
SMILESF[C@@H]1CCN(c2ccc(-c3ccc4sc(-c5cccnc5)cc4n3)cc2)C1
InChIInChI=1S/C22H18FN3S/c23-17-9-11-26(14-17)18-5-3-15(4-6-18)19-7-8-21-20(25-19)12-22(27-21)16-2-1-10-24-13-16/h1-8,10,12-13,17H,9,11,14H2/t17-/m1/s1
InChIKeyLOSUXCMXPFQOSI-QGZVFWFLSA-N
MW375.47 g/mol
LogP5.57
Rot. Bonds3

About 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine

5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine (PubChem CID 167507024) has the molecular formula C22H18FN3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine
PubChem CID167507024
Molecular FormulaC22H18FN3S
Molecular Weight375.47 g/mol
Exact Mass375.12
IUPAC Name5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine
SMILESF[C@@H]1CCN(c2ccc(-c3ccc4sc(-c5cccnc5)cc4n3)cc2)C1
InChIInChI=1S/C22H18FN3S/c23-17-9-11-26(14-17)18-5-3-15(4-6-18)19-7-8-21-20(25-19)12-22(27-21)16-2-1-10-24-13-16/h1-8,10,12-13,17H,9,11,14H2/t17-/m1/s1
InChIKeyLOSUXCMXPFQOSI-QGZVFWFLSA-N
XLogP5.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine?
The IUPAC name of 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine (CID 167507024) is 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine?
The canonical SMILES for 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine is F[C@@H]1CCN(c2ccc(-c3ccc4sc(-c5cccnc5)cc4n3)cc2)C1.
What is the InChIKey of 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine?
The InChIKey is LOSUXCMXPFQOSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H18FN3S/c23-17-9-11-26(14-17)18-5-3-15(4-6-18)19-7-8-21-20(25-19)12-22(27-21)16-2-1-10-24-13-16/h1-8,10,12-13,17H,9,11,14H2/t17-/m1/s1.
What are the key properties of 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine?
5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine has a molecular weight of 375.47 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 167507024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).