4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide

C24H22N4O2S — CID 56925357

IUPAC4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESNc1ncc(C(=O)Nc2ccccc2)c2sc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H22N4O2S/c25-23-19-14-21(16-6-8-18(9-7-16)28-10-12-30-13-11-28)31-22(19)20(15-26-23)24(29)27-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H2,25,26)(H,27,29)
InChIKeyJCLVRHLKXKPHHX-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.63
Rot. Bonds4

About 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide

4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 56925357) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID56925357
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESNc1ncc(C(=O)Nc2ccccc2)c2sc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H22N4O2S/c25-23-19-14-21(16-6-8-18(9-7-16)28-10-12-30-13-11-28)31-22(19)20(15-26-23)24(29)27-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H2,25,26)(H,27,29)
InChIKeyJCLVRHLKXKPHHX-UHFFFAOYSA-N
XLogP4.63
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide (CID 56925357) is 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide is Nc1ncc(C(=O)Nc2ccccc2)c2sc(-c3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is JCLVRHLKXKPHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c25-23-19-14-21(16-6-8-18(9-7-16)28-10-12-30-13-11-28)31-22(19)20(15-26-23)24(29)27-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H2,25,26)(H,27,29).
What are the key properties of 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 56925357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).