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

C22H18F2N4O — CID 147478224

IUPAC5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc(F)ccc1-c1cnc(CCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C22H18F2N4O/c1-13-10-14(23)2-3-15(13)18-11-25-21(28-12-26-27-22(18)28)7-4-16-17-8-9-29-20(17)6-5-19(16)24/h2-3,5-6,10-12H,4,7-9H2,1H3
InChIKeyFDCKEUMDGACQAO-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.10
Rot. Bonds4

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

5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 147478224) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-fluoro-2-methylphenyl)-[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-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID147478224
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc(F)ccc1-c1cnc(CCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C22H18F2N4O/c1-13-10-14(23)2-3-15(13)18-11-25-21(28-12-26-27-22(18)28)7-4-16-17-8-9-29-20(17)6-5-19(16)24/h2-3,5-6,10-12H,4,7-9H2,1H3
InChIKeyFDCKEUMDGACQAO-UHFFFAOYSA-N
XLogP4.10
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mak-683
CID 121412508
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
US9580437, Example 11
CID 121432925
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263
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
6-(4-benzyloxyphenyl)-7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957966
7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958009
7-cyclohexyl-3-(1H-tetrazol-5-yl)-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine
CID 15958010
6-[4-(cyclohexoxy)phenyl]-7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958018
3-[(2,6-dimethylphenoxy)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
CID 753570

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-fluoro-2-methylphenyl)-[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-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 147478224) is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-fluoro-2-methylphenyl)-[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-fluoro-2-methylphenyl)-[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-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cc(F)ccc1-c1cnc(CCc2c(F)ccc3c2CCO3)n2cnnc12.
What is the InChIKey of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is FDCKEUMDGACQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-13-10-14(23)2-3-15(13)18-11-25-21(28-12-26-27-22(18)28)7-4-16-17-8-9-29-20(17)6-5-19(16)24/h2-3,5-6,10-12H,4,7-9H2,1H3.
What are the key properties of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 392.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 147478224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).