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

C22H17F4N5O — CID 147152573

IUPAC5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cnc(C(F)(F)F)cc1-c1cnc(CCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C22H17F4N5O/c1-12-9-27-19(22(24,25)26)8-15(12)16-10-28-20(31-11-29-30-21(16)31)5-2-13-14-6-7-32-18(14)4-3-17(13)23/h3-4,8-11H,2,5-7H2,1H3
InChIKeyBUGVWSKRAQVRAB-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.37
Rot. Bonds4

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

5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 147152573) has the molecular formula C22H17F4N5O and a molecular weight of 443.40 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-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-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID147152573
Molecular FormulaC22H17F4N5O
Molecular Weight443.40 g/mol
Exact Mass443.14
IUPAC Name5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cnc(C(F)(F)F)cc1-c1cnc(CCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C22H17F4N5O/c1-12-9-27-19(22(24,25)26)8-15(12)16-10-28-20(31-11-29-30-21(16)31)5-2-13-14-6-7-32-18(14)4-3-17(13)23/h3-4,8-11H,2,5-7H2,1H3
InChIKeyBUGVWSKRAQVRAB-UHFFFAOYSA-N
XLogP4.37
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-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-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
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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
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
US9580437, Example 11
CID 121432925

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-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-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine (CID 147152573) is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-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-2-(trifluoromethyl)-4-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-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cnc(C(F)(F)F)cc1-c1cnc(CCc2c(F)ccc3c2CCO3)n2cnnc12.
What is the InChIKey of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is BUGVWSKRAQVRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O/c1-12-9-27-19(22(24,25)26)8-15(12)16-10-28-20(31-11-29-30-21(16)31)5-2-13-14-6-7-32-18(14)4-3-17(13)23/h3-4,8-11H,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-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 443.40 g/mol, XLogP of 4.37, 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-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 147152573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).