2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C19H20FN5O — CID 126767498

IUPAC2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1nnc2ccccn12)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C19H20FN5O/c20-15-6-3-5-14(11-15)12-16-7-4-10-24(16)19(26)21-13-18-23-22-17-8-1-2-9-25(17)18/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,26)
InChIKeyGKTGKWGAUNUAGY-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.79
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126767498) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID126767498
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1nnc2ccccn12)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C19H20FN5O/c20-15-6-3-5-14(11-15)12-16-7-4-10-24(16)19(26)21-13-18-23-22-17-8-1-2-9-25(17)18/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,26)
InChIKeyGKTGKWGAUNUAGY-UHFFFAOYSA-N
XLogP2.79
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019188
4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 94806056
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 86967097
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 71880144
(2S)-1-(3,5-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938352
2-[1-[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371368
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 136515250
2-[2-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 94106765

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 126767498) is 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1nnc2ccccn12)N1CCCC1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is GKTGKWGAUNUAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-15-6-3-5-14(11-15)12-16-7-4-10-24(16)19(26)21-13-18-23-22-17-8-1-2-9-25(17)18/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,26).
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126767498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).