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

C21H18FN5O — CID 148556046

IUPAC5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1ccncc1-c1cnc(CCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C21H18FN5O/c1-13-6-8-23-10-16(13)17-11-24-20(27-12-25-26-21(17)27)5-2-14-15-7-9-28-19(15)4-3-18(14)22/h3-4,6,8,10-12H,2,5,7,9H2,1H3
InChIKeyMUBUBRKPMIPTTK-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.35
Rot. Bonds4

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

5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 148556046) 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-(4-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-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID148556046
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1ccncc1-c1cnc(CCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C21H18FN5O/c1-13-6-8-23-10-16(13)17-11-24-20(27-12-25-26-21(17)27)5-2-14-15-7-9-28-19(15)4-3-18(14)22/h3-4,6,8,10-12H,2,5,7,9H2,1H3
InChIKeyMUBUBRKPMIPTTK-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-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine with MolForge

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Related Compounds

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Mak-683
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4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
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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
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
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US9580437, Example 11
CID 121432925
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-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-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 148556046) is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-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-(4-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-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1ccncc1-c1cnc(CCc2c(F)ccc3c2CCO3)n2cnnc12.
What is the InChIKey of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is MUBUBRKPMIPTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13-6-8-23-10-16(13)17-11-24-20(27-12-25-26-21(17)27)5-2-14-15-7-9-28-19(15)4-3-18(14)22/h3-4,6,8,10-12H,2,5,7,9H2,1H3.
What are the key properties of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-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-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 148556046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).