N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

C20H21F2N3OS — CID 166237194

IUPACN-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnc2ccsc2c1
InChIInChI=1S/C20H21F2N3OS/c1-13(15-10-19-18(24-12-15)2-7-27-19)23-11-14-8-16(21)20(17(22)9-14)25-3-5-26-6-4-25/h2,7-10,12-13,23H,3-6,11H2,1H3
InChIKeySYAYKFWFDLVMOH-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.26
Rot. Bonds5

About N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 166237194) has the molecular formula C20H21F2N3OS and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID166237194
Molecular FormulaC20H21F2N3OS
Molecular Weight389.47 g/mol
Exact Mass389.14
IUPAC NameN-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnc2ccsc2c1
InChIInChI=1S/C20H21F2N3OS/c1-13(15-10-19-18(24-12-15)2-7-27-19)23-11-14-8-16(21)20(17(22)9-14)25-3-5-26-6-4-25/h2,7-10,12-13,23H,3-6,11H2,1H3
InChIKeySYAYKFWFDLVMOH-UHFFFAOYSA-N
XLogP4.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 166237194) is N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is CC(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnc2ccsc2c1.
What is the InChIKey of N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is SYAYKFWFDLVMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3OS/c1-13(15-10-19-18(24-12-15)2-7-27-19)23-11-14-8-16(21)20(17(22)9-14)25-3-5-26-6-4-25/h2,7-10,12-13,23H,3-6,11H2,1H3.
What are the key properties of N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 389.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 166237194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).