2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine

C23H21N3S — CID 45270866

IUPAC2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine
SMILESNc1cc(N2CCCC2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C23H21N3S/c24-18-15-19(26-13-7-8-14-26)25-23-21(18)20(16-9-3-1-4-10-16)22(27-23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
InChIKeyYFZQDFGECVJTQN-UHFFFAOYSA-N
MW371.51 g/mol
LogP5.81
Rot. Bonds3

About 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine

2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine (PubChem CID 45270866) has the molecular formula C23H21N3S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine
PubChem CID45270866
Molecular FormulaC23H21N3S
Molecular Weight371.51 g/mol
Exact Mass371.15
IUPAC Name2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine
SMILESNc1cc(N2CCCC2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C23H21N3S/c24-18-15-19(26-13-7-8-14-26)25-23-21(18)20(16-9-3-1-4-10-16)22(27-23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
InChIKeyYFZQDFGECVJTQN-UHFFFAOYSA-N
XLogP5.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine?
The IUPAC name of 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine (CID 45270866) is 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine?
The canonical SMILES for 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine is Nc1cc(N2CCCC2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine?
The InChIKey is YFZQDFGECVJTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3S/c24-18-15-19(26-13-7-8-14-26)25-23-21(18)20(16-9-3-1-4-10-16)22(27-23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25).
What are the key properties of 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine?
2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine has a molecular weight of 371.51 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 45270866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).