(3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one

C22H25FN6O2 — CID 59651765

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCCC1CNc1nc(-c2ccccn2)no1)Cc1ccccc1F
InChIInChI=1S/C22H25FN6O2/c23-18-8-2-1-6-15(18)12-16(24)13-20(30)29-11-5-7-17(29)14-26-22-27-21(28-31-22)19-9-3-4-10-25-19/h1-4,6,8-10,16-17H,5,7,11-14,24H2,(H,26,27,28)/t16-,17?/m1/s1
InChIKeyOVGAOHXNMIVKET-TZHYSIJRSA-N
MW424.48 g/mol
LogP2.63
Rot. Bonds8

About (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one

(3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 59651765) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
PubChem CID59651765
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCCC1CNc1nc(-c2ccccn2)no1)Cc1ccccc1F
InChIInChI=1S/C22H25FN6O2/c23-18-8-2-1-6-15(18)12-16(24)13-20(30)29-11-5-7-17(29)14-26-22-27-21(28-31-22)19-9-3-4-10-25-19/h1-4,6,8-10,16-17H,5,7,11-14,24H2,(H,26,27,28)/t16-,17?/m1/s1
InChIKeyOVGAOHXNMIVKET-TZHYSIJRSA-N
XLogP2.63
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one (CID 59651765) is (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one is N[C@@H](CC(=O)N1CCCC1CNc1nc(-c2ccccn2)no1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is OVGAOHXNMIVKET-TZHYSIJRSA-N. The full InChI is InChI=1S/C22H25FN6O2/c23-18-8-2-1-6-15(18)12-16(24)13-20(30)29-11-5-7-17(29)14-26-22-27-21(28-31-22)19-9-3-4-10-25-19/h1-4,6,8-10,16-17H,5,7,11-14,24H2,(H,26,27,28)/t16-,17?/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
(3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 424.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 59651765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).