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

C21H18FN5O — CID 149368844

IUPAC5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cncc(-c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)c1
InChIInChI=1S/C21H18FN5O/c1-13-8-14(10-23-9-13)17-11-24-20(27-12-25-26-21(17)27)5-2-15-16-6-7-28-19(16)4-3-18(15)22/h3-4,8-12H,2,5-7H2,1H3
InChIKeyYJKCXJUBORRSPO-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.35
Rot. Bonds4

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

5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 149368844) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID149368844
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cncc(-c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)c1
InChIInChI=1S/C21H18FN5O/c1-13-8-14(10-23-9-13)17-11-24-20(27-12-25-26-21(17)27)5-2-15-16-6-7-28-19(16)4-3-18(15)22/h3-4,8-12H,2,5-7H2,1H3
InChIKeyYJKCXJUBORRSPO-UHFFFAOYSA-N
XLogP3.35
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Dorsomorphin
CID 11524144
Mak-683
CID 121412508
3-(6-ethoxynaphthalen-2-yl)-1-((1-methylpiperidin-4-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56963908
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
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
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
US9580437, Example 11
CID 121432925
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 149368844) is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cncc(-c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)c1.
What is the InChIKey of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is YJKCXJUBORRSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13-8-14(10-23-9-13)17-11-24-20(27-12-25-26-21(17)27)5-2-15-16-6-7-28-19(16)4-3-18(15)22/h3-4,8-12H,2,5-7H2,1H3.
What are the key properties of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 375.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 149368844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).