2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C20H21N5O2 — CID 118471082

IUPAC2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)C3Cc4ccccc4O3)C2)n2ncnc2n1
InChIInChI=1S/C20H21N5O2/c1-13-9-16(25-20(23-13)21-12-22-25)15-6-4-8-24(11-15)19(26)18-10-14-5-2-3-7-17(14)27-18/h2-3,5,7,9,12,15,18H,4,6,8,10-11H2,1H3
InChIKeyHDBDGZVLIXJZCF-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.14
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118471082) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118471082
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)C3Cc4ccccc4O3)C2)n2ncnc2n1
InChIInChI=1S/C20H21N5O2/c1-13-9-16(25-20(23-13)21-12-22-25)15-6-4-8-24(11-15)19(26)18-10-14-5-2-3-7-17(14)27-18/h2-3,5,7,9,12,15,18H,4,6,8,10-11H2,1H3
InChIKeyHDBDGZVLIXJZCF-UHFFFAOYSA-N
XLogP2.14
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118471082) is 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)C3Cc4ccccc4O3)C2)n2ncnc2n1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is HDBDGZVLIXJZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-9-16(25-20(23-13)21-12-22-25)15-6-4-8-24(11-15)19(26)18-10-14-5-2-3-7-17(14)27-18/h2-3,5,7,9,12,15,18H,4,6,8,10-11H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118471082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).