3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal

C22H16N2O2S — CID 73446371

IUPAC3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
SMILESNc1ncc(C=CC=O)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C22H16N2O2S/c23-22-20-19(14-27-21(20)16(13-24-22)5-4-12-25)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-14H,(H2,23,24)
InChIKeyINIDHBSIYOGQSG-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.55
Rot. Bonds5

About 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal

3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal (PubChem CID 73446371) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal.

Molecular Properties

Compound Name3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
PubChem CID73446371
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC Name3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
SMILESNc1ncc(C=CC=O)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C22H16N2O2S/c23-22-20-19(14-27-21(20)16(13-24-22)5-4-12-25)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-14H,(H2,23,24)
InChIKeyINIDHBSIYOGQSG-UHFFFAOYSA-N
XLogP5.55
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
CID 18450607
7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 68678857
3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N-[(3S)-pyrrolidin-3-yl]prop-2-enamide
CID 68680347
2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol
CID 68678654
tert-butyl 3-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enoylamino]pyrrolidine-1-carboxylate
CID 68679171
(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
CID 18450643
7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322409
N-[2-[4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]pyrazol-1-yl]ethyl]prop-2-enamide
CID 122188517
(E)-3-[4-amino-3-(3-methoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enenitrile
CID 141110438
5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine
CID 66748130
3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide
CID 18450711
ethyl (E)-3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-enoate
CID 45139882

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal?
The IUPAC name of 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal (CID 73446371) is 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal.
What is the SMILES notation for 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal?
The canonical SMILES for 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal is Nc1ncc(C=CC=O)c2scc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal?
The InChIKey is INIDHBSIYOGQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c23-22-20-19(14-27-21(20)16(13-24-22)5-4-12-25)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-14H,(H2,23,24).
What are the key properties of 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal?
3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal has a molecular weight of 372.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal is sourced from PubChem (CID 73446371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).