7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine

C20H19N3OS — CID 141322452

IUPAC7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(C#CCN2CCOCC2)c2scc(-c3ccccc3)c12
InChIInChI=1S/C20H19N3OS/c21-20-18-17(15-5-2-1-3-6-15)14-25-19(18)16(13-22-20)7-4-8-23-9-11-24-12-10-23/h1-3,5-6,13-14H,8-12H2,(H2,21,22)
InChIKeyKKYJNYPFDPMKQH-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.23
Rot. Bonds2

About 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine

7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine (PubChem CID 141322452) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine
PubChem CID141322452
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(C#CCN2CCOCC2)c2scc(-c3ccccc3)c12
InChIInChI=1S/C20H19N3OS/c21-20-18-17(15-5-2-1-3-6-15)14-25-19(18)16(13-22-20)7-4-8-23-9-11-24-12-10-23/h1-3,5-6,13-14H,8-12H2,(H2,21,22)
InChIKeyKKYJNYPFDPMKQH-UHFFFAOYSA-N
XLogP3.23
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-7-(3-pyrrolidin-1-ylprop-1-ynyl)furo[3,2-c]pyridin-4-amine
CID 141322453
7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322409
N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2535766
2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
CID 23736071
(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 141110480
13-(5-phenylpenta-2,4-diynyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102019988
N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2408575
7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322450
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763
(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
CID 18450643
2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9280306
4-[[5-phenyl-4-(2-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 4842597

Frequently Asked Questions

What is the IUPAC name of 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine (CID 141322452) is 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine is Nc1ncc(C#CCN2CCOCC2)c2scc(-c3ccccc3)c12.
What is the InChIKey of 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine?
The InChIKey is KKYJNYPFDPMKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c21-20-18-17(15-5-2-1-3-6-15)14-25-19(18)16(13-22-20)7-4-8-23-9-11-24-12-10-23/h1-3,5-6,13-14H,8-12H2,(H2,21,22).
What are the key properties of 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine?
7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-morpholin-4-ylprop-1-ynyl)-3-phenylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 141322452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).