5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide

C28H21N5OS — CID 18874473

IUPAC5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide
SMILESCc1ccc(-c2c(C#N)c(N)nc3c(C(=O)Nc4ccccc4)c(Nc4ccccc4)sc23)cc1
InChIInChI=1S/C28H21N5OS/c1-17-12-14-18(15-13-17)22-21(16-29)26(30)33-24-23(27(34)31-19-8-4-2-5-9-19)28(35-25(22)24)32-20-10-6-3-7-11-20/h2-15,32H,1H3,(H2,30,33)(H,31,34)
InChIKeyUEOJHUCYEWZDJE-UHFFFAOYSA-N
MW475.58 g/mol
LogP6.72
Rot. Bonds5

About 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide

5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide (PubChem CID 18874473) has the molecular formula C28H21N5OS and a molecular weight of 475.58 g/mol. Its IUPAC name is 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide
PubChem CID18874473
Molecular FormulaC28H21N5OS
Molecular Weight475.58 g/mol
Exact Mass475.15
IUPAC Name5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide
SMILESCc1ccc(-c2c(C#N)c(N)nc3c(C(=O)Nc4ccccc4)c(Nc4ccccc4)sc23)cc1
InChIInChI=1S/C28H21N5OS/c1-17-12-14-18(15-13-17)22-21(16-29)26(30)33-24-23(27(34)31-19-8-4-2-5-9-19)28(35-25(22)24)32-20-10-6-3-7-11-20/h2-15,32H,1H3,(H2,30,33)(H,31,34)
InChIKeyUEOJHUCYEWZDJE-UHFFFAOYSA-N
XLogP6.72
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.58
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide (CID 18874473) is 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide is Cc1ccc(-c2c(C#N)c(N)nc3c(C(=O)Nc4ccccc4)c(Nc4ccccc4)sc23)cc1.
What is the InChIKey of 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is UEOJHUCYEWZDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5OS/c1-17-12-14-18(15-13-17)22-21(16-29)26(30)33-24-23(27(34)31-19-8-4-2-5-9-19)28(35-25(22)24)32-20-10-6-3-7-11-20/h2-15,32H,1H3,(H2,30,33)(H,31,34).
What are the key properties of 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide?
5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 6.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 18874473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).