(3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide

C16H13FN6O2 — CID 95614324

IUPAC(3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ncccn2n1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H13FN6O2/c17-11-2-4-12(5-3-11)22-9-10(8-13(22)24)14(25)19-15-20-16-18-6-1-7-23(16)21-15/h1-7,10H,8-9H2,(H,19,21,25)/t10-/m1/s1
InChIKeyLXLVFNWMCCAPGO-SNVBAGLBSA-N
MW340.32 g/mol
LogP1.25
Rot. Bonds3

About (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide

(3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 95614324) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide
PubChem CID95614324
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name(3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ncccn2n1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H13FN6O2/c17-11-2-4-12(5-3-11)22-9-10(8-13(22)24)14(25)19-15-20-16-18-6-1-7-23(16)21-15/h1-7,10H,8-9H2,(H,19,21,25)/t10-/m1/s1
InChIKeyLXLVFNWMCCAPGO-SNVBAGLBSA-N
XLogP1.25
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 56803289
(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 755530
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 17120007
N-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459090
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110684594
1-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17310627
(3S)-1-(4-fluorophenyl)-5-oxo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-3-carboxamide
CID 122288849

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide (CID 95614324) is (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nc2ncccn2n1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is LXLVFNWMCCAPGO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13FN6O2/c17-11-2-4-12(5-3-11)22-9-10(8-13(22)24)14(25)19-15-20-16-18-6-1-7-23(16)21-15/h1-7,10H,8-9H2,(H,19,21,25)/t10-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 340.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95614324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).