(6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone

C21H17F2N5O2 — CID 167865716

IUPAC(6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1coc2cc(F)ccc12)N1CCCC(c2cn(-c3cncc(F)c3)nn2)C1
InChIInChI=1S/C21H17F2N5O2/c22-14-3-4-17-18(12-30-20(17)7-14)21(29)27-5-1-2-13(10-27)19-11-28(26-25-19)16-6-15(23)8-24-9-16/h3-4,6-9,11-13H,1-2,5,10H2
InChIKeyJVZVLUWRAWFLSS-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.71
Rot. Bonds3

About (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone

(6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone (PubChem CID 167865716) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone
PubChem CID167865716
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name(6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1coc2cc(F)ccc12)N1CCCC(c2cn(-c3cncc(F)c3)nn2)C1
InChIInChI=1S/C21H17F2N5O2/c22-14-3-4-17-18(12-30-20(17)7-14)21(29)27-5-1-2-13(10-27)19-11-28(26-25-19)16-6-15(23)8-24-9-16/h3-4,6-9,11-13H,1-2,5,10H2
InChIKeyJVZVLUWRAWFLSS-UHFFFAOYSA-N
XLogP3.71
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

5-[4-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclopentyl]triazol-1-yl]pyridine-3-carboxylic acid
CID 146147441
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
[3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68698649
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 125003943
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048
2-[3-[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126440008
6-fluoro-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238177
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126430234
(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97019126

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone (CID 167865716) is (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone is O=C(c1coc2cc(F)ccc12)N1CCCC(c2cn(-c3cncc(F)c3)nn2)C1.
What is the InChIKey of (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is JVZVLUWRAWFLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c22-14-3-4-17-18(12-30-20(17)7-14)21(29)27-5-1-2-13(10-27)19-11-28(26-25-19)16-6-15(23)8-24-9-16/h3-4,6-9,11-13H,1-2,5,10H2.
What are the key properties of (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone?
(6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 409.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-benzofuran-3-yl)-[3-[1-(5-fluoro-3-pyridinyl)triazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 167865716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).