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

C19H21N5O — CID 142895309

IUPAC(2S)-2-amino-1-pyrrolidin-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)N1CCCC1
InChIInChI=1S/C19H21N5O/c20-17(19(25)23-9-1-2-10-23)11-14-3-5-15(6-4-14)16-7-8-18-21-13-22-24(18)12-16/h3-8,12-13,17H,1-2,9-11,20H2/t17-/m0/s1
InChIKeyWRHFUYWBOMXEEB-KRWDZBQOSA-N
MW335.41 g/mol
LogP1.89
Rot. Bonds4

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

(2S)-2-amino-1-pyrrolidin-1-yl-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one (PubChem CID 142895309) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-2-amino-1-pyrrolidin-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-pyrrolidin-1-yl-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one
PubChem CID142895309
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2S)-2-amino-1-pyrrolidin-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)N1CCCC1
InChIInChI=1S/C19H21N5O/c20-17(19(25)23-9-1-2-10-23)11-14-3-5-15(6-4-14)16-7-8-18-21-13-22-24(18)12-16/h3-8,12-13,17H,1-2,9-11,20H2/t17-/m0/s1
InChIKeyWRHFUYWBOMXEEB-KRWDZBQOSA-N
XLogP1.89
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane
CID 142913175
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
2-amino-3-(4-ethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851361
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 58648589
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 23002640
(2S)-2-amino-1-(azocan-1-yl)-3-(3,4-dihydroxyphenyl)propan-1-one
CID 61148033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-pyrrolidin-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-pyrrolidin-1-yl-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one (CID 142895309) is (2S)-2-amino-1-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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)N1CCCC1.
What is the InChIKey of (2S)-2-amino-1-pyrrolidin-1-yl-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one?
The InChIKey is WRHFUYWBOMXEEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c20-17(19(25)23-9-1-2-10-23)11-14-3-5-15(6-4-14)16-7-8-18-21-13-22-24(18)12-16/h3-8,12-13,17H,1-2,9-11,20H2/t17-/m0/s1.
What are the key properties of (2S)-2-amino-1-pyrrolidin-1-yl-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one?
(2S)-2-amino-1-pyrrolidin-1-yl-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one has a molecular weight of 335.41 g/mol, XLogP of 1.89, 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-pyrrolidin-1-yl-3-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propan-1-one is sourced from PubChem (CID 142895309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).