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

C19H17FN6O — CID 147128345

IUPAC5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCn1cc(-c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)cn1
InChIInChI=1S/C19H17FN6O/c1-25-10-12(8-23-25)15-9-21-18(26-11-22-24-19(15)26)5-2-13-14-6-7-27-17(14)4-3-16(13)20/h3-4,8-11H,2,5-7H2,1H3
InChIKeyBPSGNDHEDNVMGA-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.38
Rot. Bonds4

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

5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 147128345) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID147128345
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCn1cc(-c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)cn1
InChIInChI=1S/C19H17FN6O/c1-25-10-12(8-23-25)15-9-21-18(26-11-22-24-19(15)26)5-2-13-14-6-7-27-17(14)4-3-16(13)20/h3-4,8-11H,2,5-7H2,1H3
InChIKeyBPSGNDHEDNVMGA-UHFFFAOYSA-N
XLogP2.38
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

Mak-683
CID 121412508
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
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
3-[(2,6-dimethylphenoxy)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
CID 753570
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
5-Fluoro-4-[[[8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 156022749
5-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-N-methyl-8-N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
CID 162368300
dorsomorphin (91E)
CID 50997746
US11091495, Example 228
CID 152324986

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylpyrazol-4-yl)-[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-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 147128345) is 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylpyrazol-4-yl)-[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-(1-methylpyrazol-4-yl)-[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-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cn1cc(-c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)cn1.
What is the InChIKey of 5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is BPSGNDHEDNVMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-25-10-12(8-23-25)15-9-21-18(26-11-22-24-19(15)26)5-2-13-14-6-7-27-17(14)4-3-16(13)20/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-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 364.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 147128345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).