2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine

C25H25N3OS — CID 148987412

IUPAC2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine
SMILESCCc1ccc(-c2cc3ccc(Nc4ccc(N5CCOCC5)cc4)nc3s2)cc1
InChIInChI=1S/C25H25N3OS/c1-2-18-3-5-19(6-4-18)23-17-20-7-12-24(27-25(20)30-23)26-21-8-10-22(11-9-21)28-13-15-29-16-14-28/h3-12,17H,2,13-16H2,1H3,(H,26,27)
InChIKeyPXAJQGBYKRHDRL-UHFFFAOYSA-N
MW415.56 g/mol
LogP6.11
Rot. Bonds5

About 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine

2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine (PubChem CID 148987412) has the molecular formula C25H25N3OS and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine
PubChem CID148987412
Molecular FormulaC25H25N3OS
Molecular Weight415.56 g/mol
Exact Mass415.17
IUPAC Name2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine
SMILESCCc1ccc(-c2cc3ccc(Nc4ccc(N5CCOCC5)cc4)nc3s2)cc1
InChIInChI=1S/C25H25N3OS/c1-2-18-3-5-19(6-4-18)23-17-20-7-12-24(27-25(20)30-23)26-21-8-10-22(11-9-21)28-13-15-29-16-14-28/h3-12,17H,2,13-16H2,1H3,(H,26,27)
InChIKeyPXAJQGBYKRHDRL-UHFFFAOYSA-N
XLogP6.11
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine
CID 17129698
4-(4-ethylphenyl)morpholine
CID 20576442
2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 7594221
2-N-(4-ethylphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928742
2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine
CID 177202491
2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117088664
2-[4-(methylamino)phenyl]-N-[4-[(E)-prop-1-enoxy]phenyl]thieno[2,3-b]pyridin-6-amine
CID 145365389
6-(5-ethyl-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147813694
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
4-N-(4-ethylphenyl)-2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580284
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine?
The IUPAC name of 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine (CID 148987412) is 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine?
The canonical SMILES for 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine is CCc1ccc(-c2cc3ccc(Nc4ccc(N5CCOCC5)cc4)nc3s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine?
The InChIKey is PXAJQGBYKRHDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3OS/c1-2-18-3-5-19(6-4-18)23-17-20-7-12-24(27-25(20)30-23)26-21-8-10-22(11-9-21)28-13-15-29-16-14-28/h3-12,17H,2,13-16H2,1H3,(H,26,27).
What are the key properties of 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine?
2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine has a molecular weight of 415.56 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine is sourced from PubChem (CID 148987412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).