2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone

C20H19N5O — CID 165435942

IUPAC2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CC(c3nnc4ccccn34)C2)c2ccccc21
InChIInChI=1S/C20H19N5O/c1-23-11-14(16-6-2-3-7-17(16)23)10-19(26)24-12-15(13-24)20-22-21-18-8-4-5-9-25(18)20/h2-9,11,15H,10,12-13H2,1H3
InChIKeyBWLSYOHBMHBLGY-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.39
Rot. Bonds3

About 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone

2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone (PubChem CID 165435942) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
PubChem CID165435942
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CC(c3nnc4ccccn34)C2)c2ccccc21
InChIInChI=1S/C20H19N5O/c1-23-11-14(16-6-2-3-7-17(16)23)10-19(26)24-12-15(13-24)20-22-21-18-8-4-5-9-25(18)20/h2-9,11,15H,10,12-13H2,1H3
InChIKeyBWLSYOHBMHBLGY-UHFFFAOYSA-N
XLogP2.39
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
CID 163358468
2-(1-methylindol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 71702217
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 70750405
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-imidazo[1,2-a]pyridin-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 86924751
(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155500073
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
(1-ethylindol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51255839

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone (CID 165435942) is 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone is Cn1cc(CC(=O)N2CC(c3nnc4ccccn34)C2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone?
The InChIKey is BWLSYOHBMHBLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-23-11-14(16-6-2-3-7-17(16)23)10-19(26)24-12-15(13-24)20-22-21-18-8-4-5-9-25(18)20/h2-9,11,15H,10,12-13H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone?
2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone has a molecular weight of 345.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 165435942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).