2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

C21H20ClN5O — CID 56762563

IUPAC2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2c(Cl)cccc21)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C21H20ClN5O/c22-17-4-3-5-18-16(17)9-13-26(18)14-20(28)25-11-7-15(8-12-25)21-24-23-19-6-1-2-10-27(19)21/h1-6,9-10,13,15H,7-8,11-12,14H2
InChIKeyMCRNEJLBLACJNK-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.74
Rot. Bonds3

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

2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 56762563) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID56762563
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2c(Cl)cccc21)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C21H20ClN5O/c22-17-4-3-5-18-16(17)9-13-26(18)14-20(28)25-11-7-15(8-12-25)21-24-23-19-6-1-2-10-27(19)21/h1-6,9-10,13,15H,7-8,11-12,14H2
InChIKeyMCRNEJLBLACJNK-UHFFFAOYSA-N
XLogP3.74
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 31742653
(1-ethylindol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51255839
1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 72935222
2-(1-hydroxycyclohexyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 111331645
6-pyrrol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexan-1-one
CID 127254735
N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 24664708
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
1-[4-(2-phenylethyl)piperidin-1-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 78842000
ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate
CID 39313356
2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
CID 163358468
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
(2-chloro-4-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46576736

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (CID 56762563) is 2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is O=C(Cn1ccc2c(Cl)cccc21)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of 2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is MCRNEJLBLACJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c22-17-4-3-5-18-16(17)9-13-26(18)14-20(28)25-11-7-15(8-12-25)21-24-23-19-6-1-2-10-27(19)21/h1-6,9-10,13,15H,7-8,11-12,14H2.
What are the key properties of 2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 393.88 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56762563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).