7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

C29H25N3O2S — CID 122186252

IUPAC7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2ccc(N3CCOCC3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C29H25N3O2S/c30-29-27-26(21-8-12-24(13-9-21)34-23-4-2-1-3-5-23)19-35-28(27)25(18-31-29)20-6-10-22(11-7-20)32-14-16-33-17-15-32/h1-13,18-19H,14-17H2,(H2,30,31)
InChIKeyMBXNSMNXJFWQRZ-UHFFFAOYSA-N
MW479.61 g/mol
LogP6.84
Rot. Bonds5

About 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 122186252) has the molecular formula C29H25N3O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID122186252
Molecular FormulaC29H25N3O2S
Molecular Weight479.61 g/mol
Exact Mass479.17
IUPAC Name7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2ccc(N3CCOCC3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C29H25N3O2S/c30-29-27-26(21-8-12-24(13-9-21)34-23-4-2-1-3-5-23)19-35-28(27)25(18-31-29)20-6-10-22(11-7-20)32-14-16-33-17-15-32/h1-13,18-19H,14-17H2,(H2,30,31)
InChIKeyMBXNSMNXJFWQRZ-UHFFFAOYSA-N
XLogP6.84
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.61
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 122186252) is 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is Nc1ncc(-c2ccc(N3CCOCC3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is MBXNSMNXJFWQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2S/c30-29-27-26(21-8-12-24(13-9-21)34-23-4-2-1-3-5-23)19-35-28(27)25(18-31-29)20-6-10-22(11-7-20)32-14-16-33-17-15-32/h1-13,18-19H,14-17H2,(H2,30,31).
What are the key properties of 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 479.61 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 122186252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).