(E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one

C23H20N4O — CID 24617390

IUPAC(E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C23H20N4O/c28-22(14-13-18-9-5-8-17-7-1-2-10-19(17)18)26-16-6-11-20(26)23-25-24-21-12-3-4-15-27(21)23/h1-5,7-10,12-15,20H,6,11,16H2/b14-13+
InChIKeyRWWVLMVXBGPNTR-BUHFOSPRSA-N
MW368.44 g/mol
LogP4.26
Rot. Bonds3

About (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one

(E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 24617390) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID24617390
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C23H20N4O/c28-22(14-13-18-9-5-8-17-7-1-2-10-19(17)18)26-16-6-11-20(26)23-25-24-21-12-3-4-15-27(21)23/h1-5,7-10,12-15,20H,6,11,16H2/b14-13+
InChIKeyRWWVLMVXBGPNTR-BUHFOSPRSA-N
XLogP4.26
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95299285
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
ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate
CID 3943281
(3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 26004078
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46528446
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
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-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one
CID 51926193
2-phenyl-4-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]phthalazin-1-one
CID 38722701
(2,5-dimethylthiophen-3-yl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51648513

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one (CID 24617390) is (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one is O=C(/C=C/c1cccc2ccccc12)N1CCCC1c1nnc2ccccn12.
What is the InChIKey of (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is RWWVLMVXBGPNTR-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H20N4O/c28-22(14-13-18-9-5-8-17-7-1-2-10-19(17)18)26-16-6-11-20(26)23-25-24-21-12-3-4-15-27(21)23/h1-5,7-10,12-15,20H,6,11,16H2/b14-13+.
What are the key properties of (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one?
(E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 368.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 24617390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).