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]morpholine

C24H23FN6O2 — CID 146884000

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]morpholine
SMILESFc1ccc2c(c1CCc1ncc(-c3ccc(N4CCOCC4)nc3)c3nncn13)CCO2
InChIInChI=1S/C24H23FN6O2/c25-20-3-4-21-18(7-10-33-21)17(20)2-6-23-27-14-19(24-29-28-15-31(23)24)16-1-5-22(26-13-16)30-8-11-32-12-9-30/h1,3-5,13-15H,2,6-12H2
InChIKeySUSAYHMQKAWLNQ-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.88
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]morpholine

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]morpholine (PubChem CID 146884000) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 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]morpholine.

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]morpholine
PubChem CID146884000
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
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]morpholine
SMILESFc1ccc2c(c1CCc1ncc(-c3ccc(N4CCOCC4)nc3)c3nncn13)CCO2
InChIInChI=1S/C24H23FN6O2/c25-20-3-4-21-18(7-10-33-21)17(20)2-6-23-27-14-19(24-29-28-15-31(23)24)16-1-5-22(26-13-16)30-8-11-32-12-9-30/h1,3-5,13-15H,2,6-12H2
InChIKeySUSAYHMQKAWLNQ-UHFFFAOYSA-N
XLogP2.88
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.88
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]morpholine with MolForge

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Related Compounds

Dorsomorphin
CID 11524144
Mak-683
CID 121412508
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Methyl substituted pyrazole, 28
CID 23648676
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
US9580437, Example 11
CID 121432925
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
Trk-IN-6
CID 155668394

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]morpholine?
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]morpholine (CID 146884000) 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]morpholine.
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]morpholine?
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]morpholine is Fc1ccc2c(c1CCc1ncc(-c3ccc(N4CCOCC4)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]morpholine?
The InChIKey is SUSAYHMQKAWLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c25-20-3-4-21-18(7-10-33-21)17(20)2-6-23-27-14-19(24-29-28-15-31(23)24)16-1-5-22(26-13-16)30-8-11-32-12-9-30/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]morpholine?
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]morpholine has a molecular weight of 446.49 g/mol, XLogP of 2.88, 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]morpholine is sourced from PubChem (CID 146884000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).