(2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one

C19H20FN5O — CID 142895294

IUPAC(2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccc3ncnn3c2)cc1)C(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C19H20FN5O/c20-16-7-8-24(11-16)19(26)17(21)9-13-1-3-14(4-2-13)15-5-6-18-22-12-23-25(18)10-15/h1-6,10,12,16-17H,7-9,11,21H2/t16-,17+/m1/s1
InChIKeyNYMGDYMAYDEJAP-SJORKVTESA-N
MW353.40 g/mol
LogP1.84
Rot. Bonds4

About (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one

(2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one (PubChem CID 142895294) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one
PubChem CID142895294
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccc3ncnn3c2)cc1)C(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C19H20FN5O/c20-16-7-8-24(11-16)19(26)17(21)9-13-1-3-14(4-2-13)15-5-6-18-22-12-23-25(18)10-15/h1-6,10,12,16-17H,7-9,11,21H2/t16-,17+/m1/s1
InChIKeyNYMGDYMAYDEJAP-SJORKVTESA-N
XLogP1.84
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one (CID 142895294) is (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one is N[C@@H](Cc1ccc(-c2ccc3ncnn3c2)cc1)C(=O)N1CC[C@@H](F)C1.
What is the InChIKey of (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one?
The InChIKey is NYMGDYMAYDEJAP-SJORKVTESA-N. The full InChI is InChI=1S/C19H20FN5O/c20-16-7-8-24(11-16)19(26)17(21)9-13-1-3-14(4-2-13)15-5-6-18-22-12-23-25(18)10-15/h1-6,10,12,16-17H,7-9,11,21H2/t16-,17+/m1/s1.
What are the key properties of (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one?
(2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one has a molecular weight of 353.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one is sourced from PubChem (CID 142895294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).