3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine

C24H21N3OS — CID 122188633

IUPAC3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(C2=CCNCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H21N3OS/c25-24-22-21(15-29-23(22)20(14-27-24)17-10-12-26-13-11-17)16-6-8-19(9-7-16)28-18-4-2-1-3-5-18/h1-10,14-15,26H,11-13H2,(H2,25,27)
InChIKeyDOLRNMIQVQCIAB-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.71
Rot. Bonds4

About 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine

3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 122188633) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID122188633
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(C2=CCNCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H21N3OS/c25-24-22-21(15-29-23(22)20(14-27-24)17-10-12-26-13-11-17)16-6-8-19(9-7-16)28-18-4-2-1-3-5-18/h1-10,14-15,26H,11-13H2,(H2,25,27)
InChIKeyDOLRNMIQVQCIAB-UHFFFAOYSA-N
XLogP5.71
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine (CID 122188633) is 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine is Nc1ncc(C2=CCNCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is DOLRNMIQVQCIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c25-24-22-21(15-29-23(22)20(14-27-24)17-10-12-26-13-11-17)16-6-8-19(9-7-16)28-18-4-2-1-3-5-18/h1-10,14-15,26H,11-13H2,(H2,25,27).
What are the key properties of 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine?
3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 399.52 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 122188633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).