7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde

C25H18N3OPS — CID 102035631

IUPAC7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde
SMILESO=Cc1sc2nccnc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18N3OPS/c29-18-22-23(24-25(31-22)27-17-16-26-24)28-30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyUZEPRBRDUWUXBQ-UHFFFAOYSA-N
MW439.48 g/mol
LogP5.31
Rot. Bonds5

About 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde

7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde (PubChem CID 102035631) has the molecular formula C25H18N3OPS and a molecular weight of 439.48 g/mol. Its IUPAC name is 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde.

Molecular Properties

Compound Name7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde
PubChem CID102035631
Molecular FormulaC25H18N3OPS
Molecular Weight439.48 g/mol
Exact Mass439.09
IUPAC Name7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde
SMILESO=Cc1sc2nccnc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18N3OPS/c29-18-22-23(24-25(31-22)27-17-16-26-24)28-30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyUZEPRBRDUWUXBQ-UHFFFAOYSA-N
XLogP5.31
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-Aminothieno[2,3-b]pyrazine-6-carbaldehyde
CID 25228189
Ethyl 7-[(triphenyl-lambda5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carboxylate
CID 12000047
4-Ethyl-5-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 101854852
N-phenyl-1-[7-[(triphenyl-lambda5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine
CID 134831398
7-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65625912
7-amino-N-(2-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65627311
7-amino-N-(3,4-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65627920
7-amino-N-(2,5-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628114
7-amino-N-(3-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628326
7-amino-N-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628935
7-amino-N-(3,5-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628941
7-amino-N-(2,6-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628989

Frequently Asked Questions

What is the IUPAC name of 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde?
The IUPAC name of 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde (CID 102035631) is 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde.
What is the SMILES notation for 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde?
The canonical SMILES for 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde is O=Cc1sc2nccnc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde?
The InChIKey is UZEPRBRDUWUXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N3OPS/c29-18-22-23(24-25(31-22)27-17-16-26-24)28-30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde?
7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde has a molecular weight of 439.48 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde is sourced from PubChem (CID 102035631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).