5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine

C23H25FN6OS — CID 24772689

IUPAC5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCOCCN(C)Cc1ccnc(Nc2nc3ccc(N(C)c4ccc(F)cc4)nc3s2)c1
InChIInChI=1S/C23H25FN6OS/c1-29(12-13-31-3)15-16-10-11-25-20(14-16)27-23-26-19-8-9-21(28-22(19)32-23)30(2)18-6-4-17(24)5-7-18/h4-11,14H,12-13,15H2,1-3H3,(H,25,26,27)
InChIKeyOQLBUJWRNDOZMG-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.82
Rot. Bonds9

About 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine

5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (PubChem CID 24772689) has the molecular formula C23H25FN6OS and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
PubChem CID24772689
Molecular FormulaC23H25FN6OS
Molecular Weight452.56 g/mol
Exact Mass452.18
IUPAC Name5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCOCCN(C)Cc1ccnc(Nc2nc3ccc(N(C)c4ccc(F)cc4)nc3s2)c1
InChIInChI=1S/C23H25FN6OS/c1-29(12-13-31-3)15-16-10-11-25-20(14-16)27-23-26-19-8-9-21(28-22(19)32-23)30(2)18-6-4-17(24)5-7-18/h4-11,14H,12-13,15H2,1-3H3,(H,25,26,27)
InChIKeyOQLBUJWRNDOZMG-UHFFFAOYSA-N
XLogP4.82
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (CID 24772689) is 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is COCCN(C)Cc1ccnc(Nc2nc3ccc(N(C)c4ccc(F)cc4)nc3s2)c1.
What is the InChIKey of 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The InChIKey is OQLBUJWRNDOZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6OS/c1-29(12-13-31-3)15-16-10-11-25-20(14-16)27-23-26-19-8-9-21(28-22(19)32-23)30(2)18-6-4-17(24)5-7-18/h4-11,14H,12-13,15H2,1-3H3,(H,25,26,27).
What are the key properties of 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine has a molecular weight of 452.56 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is sourced from PubChem (CID 24772689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).