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

C19H17N5O2 — CID 162644747

IUPAC1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2occc2c1)N1CCCC(c2ccnc3ncnn23)C1
InChIInChI=1S/C19H17N5O2/c25-18(14-3-4-17-13(10-14)6-9-26-17)23-8-1-2-15(11-23)16-5-7-20-19-21-12-22-24(16)19/h3-7,9-10,12,15H,1-2,8,11H2
InChIKeyHNDPBXHAFBXLSC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.89
Rot. Bonds2

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

1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 162644747) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID162644747
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2occc2c1)N1CCCC(c2ccnc3ncnn23)C1
InChIInChI=1S/C19H17N5O2/c25-18(14-3-4-17-13(10-14)6-9-26-17)23-8-1-2-15(11-23)16-5-7-20-19-21-12-22-24(16)19/h3-7,9-10,12,15H,1-2,8,11H2
InChIKeyHNDPBXHAFBXLSC-UHFFFAOYSA-N
XLogP2.89
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 162644747) is 1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is O=C(c1ccc2occc2c1)N1CCCC(c2ccnc3ncnn23)C1.
What is the InChIKey of 1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is HNDPBXHAFBXLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-18(14-3-4-17-13(10-14)6-9-26-17)23-8-1-2-15(11-23)16-5-7-20-19-21-12-22-24(16)19/h3-7,9-10,12,15H,1-2,8,11H2.
What are the key properties of 1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 347.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 162644747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).