(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C17H23N5O2 — CID 71871964

IUPAC(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCCC1CN(C(=O)c2ccc3nncn3c2)CC1N1CCOCC1
InChIInChI=1S/C17H23N5O2/c1-2-13-9-21(11-15(13)20-5-7-24-8-6-20)17(23)14-3-4-16-19-18-12-22(16)10-14/h3-4,10,12-13,15H,2,5-9,11H2,1H3
InChIKeyCSJUPUURJOBMOY-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.91
Rot. Bonds3

About (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 71871964) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID71871964
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCCC1CN(C(=O)c2ccc3nncn3c2)CC1N1CCOCC1
InChIInChI=1S/C17H23N5O2/c1-2-13-9-21(11-15(13)20-5-7-24-8-6-20)17(23)14-3-4-16-19-18-12-22(16)10-14/h3-4,10,12-13,15H,2,5-9,11H2,1H3
InChIKeyCSJUPUURJOBMOY-UHFFFAOYSA-N
XLogP0.91
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96513290
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 97026691
6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491
1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 97026542
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 136587994
[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 97026725
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride
CID 120742282
[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 96996371
(3-aminopyrazin-2-yl)-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 71871958
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026569
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96996283

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 71871964) is (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is CCC1CN(C(=O)c2ccc3nncn3c2)CC1N1CCOCC1.
What is the InChIKey of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is CSJUPUURJOBMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-13-9-21(11-15(13)20-5-7-24-8-6-20)17(23)14-3-4-16-19-18-12-22(16)10-14/h3-4,10,12-13,15H,2,5-9,11H2,1H3.
What are the key properties of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 71871964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).