1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one

C21H20N6O2 — CID 51926193

IUPAC1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one
SMILESO=C(CCn1ncc(=O)c2ccccc21)N1CCC[C@H]1c1nnc2ccccn12
InChIInChI=1S/C21H20N6O2/c28-18-14-22-27(16-7-2-1-6-15(16)18)13-10-20(29)25-12-5-8-17(25)21-24-23-19-9-3-4-11-26(19)21/h1-4,6-7,9,11,14,17H,5,8,10,12-13H2/t17-/m0/s1
InChIKeyMCMYKVXOSWYNOJ-KRWDZBQOSA-N
MW388.43 g/mol
LogP2.19
Rot. Bonds4

About 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one

1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one (PubChem CID 51926193) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one
PubChem CID51926193
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one
SMILESO=C(CCn1ncc(=O)c2ccccc21)N1CCC[C@H]1c1nnc2ccccn12
InChIInChI=1S/C21H20N6O2/c28-18-14-22-27(16-7-2-1-6-15(16)18)13-10-20(29)25-12-5-8-17(25)21-24-23-19-9-3-4-11-26(19)21/h1-4,6-7,9,11,14,17H,5,8,10,12-13H2/t17-/m0/s1
InChIKeyMCMYKVXOSWYNOJ-KRWDZBQOSA-N
XLogP2.19
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[(2S)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 94637302
1-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 9489683
8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one
CID 46685317
2-[3-oxo-3-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135910568
4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 38717084
1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 87028056
N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide
CID 24612298
2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one
CID 17495969
1-[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]cinnolin-4-one
CID 94643325
2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 46528379
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 42924146

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one?
The IUPAC name of 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one (CID 51926193) is 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one.
What is the SMILES notation for 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one?
The canonical SMILES for 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one is O=C(CCn1ncc(=O)c2ccccc21)N1CCC[C@H]1c1nnc2ccccn12.
What is the InChIKey of 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one?
The InChIKey is MCMYKVXOSWYNOJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-18-14-22-27(16-7-2-1-6-15(16)18)13-10-20(29)25-12-5-8-17(25)21-24-23-19-9-3-4-11-26(19)21/h1-4,6-7,9,11,14,17H,5,8,10,12-13H2/t17-/m0/s1.
What are the key properties of 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one?
1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one has a molecular weight of 388.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one is sourced from PubChem (CID 51926193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).