4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine

C26H28FN5OS — CID 166497295

IUPAC4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine
SMILESCNCc1ccccc1-c1csc([C@@H](C)Nc2ncc(F)c3cnc(N4CCOCC4)cc23)c1
InChIInChI=1S/C26H28FN5OS/c1-17(24-11-19(16-34-24)20-6-4-3-5-18(20)13-28-2)31-26-21-12-25(32-7-9-33-10-8-32)29-14-22(21)23(27)15-30-26/h3-6,11-12,14-17,28H,7-10,13H2,1-2H3,(H,30,31)/t17-/m1/s1
InChIKeyJDPKZPGKMXLKEI-QGZVFWFLSA-N
MW477.61 g/mol
LogP5.23
Rot. Bonds7

About 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine

4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine (PubChem CID 166497295) has the molecular formula C26H28FN5OS and a molecular weight of 477.61 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine
PubChem CID166497295
Molecular FormulaC26H28FN5OS
Molecular Weight477.61 g/mol
Exact Mass477.20
IUPAC Name4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine
SMILESCNCc1ccccc1-c1csc([C@@H](C)Nc2ncc(F)c3cnc(N4CCOCC4)cc23)c1
InChIInChI=1S/C26H28FN5OS/c1-17(24-11-19(16-34-24)20-6-4-3-5-18(20)13-28-2)31-26-21-12-25(32-7-9-33-10-8-32)29-14-22(21)23(27)15-30-26/h3-6,11-12,14-17,28H,7-10,13H2,1-2H3,(H,30,31)/t17-/m1/s1
InChIKeyJDPKZPGKMXLKEI-QGZVFWFLSA-N
XLogP5.23
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine?
The IUPAC name of 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine (CID 166497295) is 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine?
The canonical SMILES for 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine is CNCc1ccccc1-c1csc([C@@H](C)Nc2ncc(F)c3cnc(N4CCOCC4)cc23)c1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine?
The InChIKey is JDPKZPGKMXLKEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28FN5OS/c1-17(24-11-19(16-34-24)20-6-4-3-5-18(20)13-28-2)31-26-21-12-25(32-7-9-33-10-8-32)29-14-22(21)23(27)15-30-26/h3-6,11-12,14-17,28H,7-10,13H2,1-2H3,(H,30,31)/t17-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine?
4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine has a molecular weight of 477.61 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-yl-2,6-naphthyridin-1-amine is sourced from PubChem (CID 166497295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).