4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine

C24H23FN6OS — CID 153026217

IUPAC4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine
SMILESFc1ccc2c(c1CCc1ncc(-c3ccc(N4CCSCC4)nc3)c3nncn13)CCO2
InChIInChI=1S/C24H23FN6OS/c25-20-3-4-21-18(7-10-32-21)17(20)2-6-23-27-14-19(24-29-28-15-31(23)24)16-1-5-22(26-13-16)30-8-11-33-12-9-30/h1,3-5,13-15H,2,6-12H2
InChIKeyVCXKZGPMYGQQAN-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.60
Rot. Bonds5

About 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine

4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine (PubChem CID 153026217) has the molecular formula C24H23FN6OS and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine.

Molecular Properties

Compound Name4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine
PubChem CID153026217
Molecular FormulaC24H23FN6OS
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine
SMILESFc1ccc2c(c1CCc1ncc(-c3ccc(N4CCSCC4)nc3)c3nncn13)CCO2
InChIInChI=1S/C24H23FN6OS/c25-20-3-4-21-18(7-10-32-21)17(20)2-6-23-27-14-19(24-29-28-15-31(23)24)16-1-5-22(26-13-16)30-8-11-33-12-9-30/h1,3-5,13-15H,2,6-12H2
InChIKeyVCXKZGPMYGQQAN-UHFFFAOYSA-N
XLogP3.60
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine with MolForge

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Related Compounds

Dorsomorphin
CID 11524144
Mak-683
CID 121412508
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
4-(2-{3-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329448
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
5-Fluoro-4-[[[8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 156022749
dorsomorphin (91E)
CID 50997746
4-(6-(4-(2-Morpholinoethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
CID 52945753
N-[(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 162658383
5-[(2R)-2-[2-(2,2-difluoroethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 166632138
N,N-diethyl-2-(4-(3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethanamine
CID 44223352

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine?
The IUPAC name of 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine (CID 153026217) is 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine.
What is the SMILES notation for 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine?
The canonical SMILES for 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine is Fc1ccc2c(c1CCc1ncc(-c3ccc(N4CCSCC4)nc3)c3nncn13)CCO2.
What is the InChIKey of 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine?
The InChIKey is VCXKZGPMYGQQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6OS/c25-20-3-4-21-18(7-10-32-21)17(20)2-6-23-27-14-19(24-29-28-15-31(23)24)16-1-5-22(26-13-16)30-8-11-33-12-9-30/h1,3-5,13-15H,2,6-12H2.
What are the key properties of 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine?
4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine has a molecular weight of 462.55 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]thiomorpholine is sourced from PubChem (CID 153026217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).