(3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one

C18H16FN5O — CID 162784366

IUPAC(3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESO=C1[C@H](Cc2ccc(F)cc2)CCN1c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C18H16FN5O/c19-15-3-1-12(2-4-15)11-14-7-10-24(17(14)25)18-21-16(22-23-18)13-5-8-20-9-6-13/h1-6,8-9,14H,7,10-11H2,(H,21,22,23)/t14-/m0/s1
InChIKeyIHKNIGAUDCRBJO-AWEZNQCLSA-N
MW337.36 g/mol
LogP2.60
Rot. Bonds4

About (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one

(3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one (PubChem CID 162784366) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
PubChem CID162784366
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name(3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESO=C1[C@H](Cc2ccc(F)cc2)CCN1c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C18H16FN5O/c19-15-3-1-12(2-4-15)11-14-7-10-24(17(14)25)18-21-16(22-23-18)13-5-8-20-9-6-13/h1-6,8-9,14H,7,10-11H2,(H,21,22,23)/t14-/m0/s1
InChIKeyIHKNIGAUDCRBJO-AWEZNQCLSA-N
XLogP2.60
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 3922884
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 3934876
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
4-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2972795
1-(5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one
CID 3476108
2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
CID 10114711
2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395
(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(2-fluoropyridin-3-yl)prop-2-enamide
CID 86581371
(E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-(pyridin-3-yl)acrylamide
CID 86582891
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetamide
CID 118560423

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one (CID 162784366) is (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one is O=C1[C@H](Cc2ccc(F)cc2)CCN1c1n[nH]c(-c2ccncc2)n1.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The InChIKey is IHKNIGAUDCRBJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-15-3-1-12(2-4-15)11-14-7-10-24(17(14)25)18-21-16(22-23-18)13-5-8-20-9-6-13/h1-6,8-9,14H,7,10-11H2,(H,21,22,23)/t14-/m0/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one?
(3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one has a molecular weight of 337.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 162784366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).