[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

C19H18FN5O — CID 26392890

IUPAC[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2F)nn1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C19H18FN5O/c20-15-7-2-1-6-14(15)12-24-13-17(22-23-24)19(26)25-11-5-9-18(25)16-8-3-4-10-21-16/h1-4,6-8,10,13,18H,5,9,11-12H2/t18-/m1/s1
InChIKeyHSPZQALWIAENIB-GOSISDBHSA-N
MW351.39 g/mol
LogP2.84
Rot. Bonds4

About [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 26392890) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
PubChem CID26392890
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2F)nn1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C19H18FN5O/c20-15-7-2-1-6-14(15)12-24-13-17(22-23-24)19(26)25-11-5-9-18(25)16-8-3-4-10-21-16/h1-4,6-8,10,13,18H,5,9,11-12H2/t18-/m1/s1
InChIKeyHSPZQALWIAENIB-GOSISDBHSA-N
XLogP2.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 45246582
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26406283
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 42099202
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 42394571
[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42519464
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 26334855
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 42591846
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026997
6-[(2-fluorophenyl)methyl]-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795859

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (CID 26392890) is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is O=C(c1cn(Cc2ccccc2F)nn1)N1CCC[C@@H]1c1ccccn1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is HSPZQALWIAENIB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-15-7-2-1-6-14(15)12-24-13-17(22-23-24)19(26)25-11-5-9-18(25)16-8-3-4-10-21-16/h1-4,6-8,10,13,18H,5,9,11-12H2/t18-/m1/s1.
What are the key properties of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 351.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 26392890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).