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

C23H23FN6OS — CID 24772755

IUPAC5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCN(c1ccc(F)cc1)c1ccc2nc(Nc3ccc(CN4CCOCC4)cn3)sc2n1
InChIInChI=1S/C23H23FN6OS/c1-29(18-5-3-17(24)4-6-18)21-9-7-19-22(28-21)32-23(26-19)27-20-8-2-16(14-25-20)15-30-10-12-31-13-11-30/h2-9,14H,10-13,15H2,1H3,(H,25,26,27)
InChIKeyAANZGGVBMRVKLR-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.57
Rot. Bonds6

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

5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (PubChem CID 24772755) has the molecular formula C23H23FN6OS and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
PubChem CID24772755
Molecular FormulaC23H23FN6OS
Molecular Weight450.54 g/mol
Exact Mass450.16
IUPAC Name5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCN(c1ccc(F)cc1)c1ccc2nc(Nc3ccc(CN4CCOCC4)cn3)sc2n1
InChIInChI=1S/C23H23FN6OS/c1-29(18-5-3-17(24)4-6-18)21-9-7-19-22(28-21)32-23(26-19)27-20-8-2-16(14-25-20)15-30-10-12-31-13-11-30/h2-9,14H,10-13,15H2,1H3,(H,25,26,27)
InChIKeyAANZGGVBMRVKLR-UHFFFAOYSA-N
XLogP4.57
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (CID 24772755) is 5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is CN(c1ccc(F)cc1)c1ccc2nc(Nc3ccc(CN4CCOCC4)cn3)sc2n1.
What is the InChIKey of 5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The InChIKey is AANZGGVBMRVKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6OS/c1-29(18-5-3-17(24)4-6-18)21-9-7-19-22(28-21)32-23(26-19)27-20-8-2-16(14-25-20)15-30-10-12-31-13-11-30/h2-9,14H,10-13,15H2,1H3,(H,25,26,27).
What are the key properties of 5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine has a molecular weight of 450.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-5-N-methyl-2-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is sourced from PubChem (CID 24772755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).