(3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one

C17H20FN5O — CID 95779909

IUPAC(3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1[C@H](NCc2nnc3n2CCCC3)CCN1c1ccccc1F
InChIInChI=1S/C17H20FN5O/c18-12-5-1-2-6-14(12)22-10-8-13(17(22)24)19-11-16-21-20-15-7-3-4-9-23(15)16/h1-2,5-6,13,19H,3-4,7-11H2/t13-/m1/s1
InChIKeyFBRCPRHWCWYEKY-CYBMUJFWSA-N
MW329.38 g/mol
LogP1.65
Rot. Bonds4

About (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one

(3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one (PubChem CID 95779909) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
PubChem CID95779909
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name(3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1[C@H](NCc2nnc3n2CCCC3)CCN1c1ccccc1F
InChIInChI=1S/C17H20FN5O/c18-12-5-1-2-6-14(12)22-10-8-13(17(22)24)19-11-16-21-20-15-7-3-4-9-23(15)16/h1-2,5-6,13,19H,3-4,7-11H2/t13-/m1/s1
InChIKeyFBRCPRHWCWYEKY-CYBMUJFWSA-N
XLogP1.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-phenyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)piperidin-2-one
CID 95779878
(3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one
CID 97021683
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
CID 111119242
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclopentanamine
CID 60664034
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 154882662
1-(2,4-difluorophenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 126767497
2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)cycloheptyl]isoindole-1,3-dione
CID 154836117
1-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thian-4-amine
CID 107077806
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551295
7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
(3R)-1-(2-ethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 129366319

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one (CID 95779909) is (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one is O=C1[C@H](NCc2nnc3n2CCCC3)CCN1c1ccccc1F.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one?
The InChIKey is FBRCPRHWCWYEKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-12-5-1-2-6-14(12)22-10-8-13(17(22)24)19-11-16-21-20-15-7-3-4-9-23(15)16/h1-2,5-6,13,19H,3-4,7-11H2/t13-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one?
(3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one has a molecular weight of 329.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 95779909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).