2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone

C17H16FN5O — CID 110218849

IUPAC2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCC1c1ccnc2ncnn12
InChIInChI=1S/C17H16FN5O/c18-13-4-1-3-12(9-13)10-16(24)22-8-2-5-14(22)15-6-7-19-17-20-11-21-23(15)17/h1,3-4,6-7,9,11,14H,2,5,8,10H2
InChIKeyMRPYJOHTCPHYRT-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.17
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone (PubChem CID 110218849) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone
PubChem CID110218849
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCC1c1ccnc2ncnn12
InChIInChI=1S/C17H16FN5O/c18-13-4-1-3-12(9-13)10-16(24)22-8-2-5-14(22)15-6-7-19-17-20-11-21-23(15)17/h1,3-4,6-7,9,11,14H,2,5,8,10H2
InChIKeyMRPYJOHTCPHYRT-UHFFFAOYSA-N
XLogP2.17
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92560694
2-(4-methoxyphenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone
CID 110218844
2-(4-ethoxyphenyl)-1-[(2R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92593704
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
(2,6-dimethoxyphenyl)-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
CID 92600497
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 94080637
2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618
1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63393969
2-[(2S)-1-[2-(3-fluorophenyl)acetyl]piperidin-2-yl]acetamide
CID 95294234
2-(3-fluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427864
N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124973479

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone (CID 110218849) is 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCCC1c1ccnc2ncnn12.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is MRPYJOHTCPHYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-13-4-1-3-12(9-13)10-16(24)22-8-2-5-14(22)15-6-7-19-17-20-11-21-23(15)17/h1,3-4,6-7,9,11,14H,2,5,8,10H2.
What are the key properties of 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 325.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110218849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).