[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H19ClN6O — CID 53196873

IUPAC[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccn2c(-c3ccc(Cl)cc3)nnc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H19ClN6O/c23-18-6-4-16(5-7-18)21-26-25-20-15-17(8-10-29(20)21)22(30)28-13-11-27(12-14-28)19-3-1-2-9-24-19/h1-10,15H,11-14H2
InChIKeyANMAXJTXGREDEY-UHFFFAOYSA-N
MW418.89 g/mol
LogP3.41
Rot. Bonds3

About [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 53196873) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID53196873
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC Name[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccn2c(-c3ccc(Cl)cc3)nnc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H19ClN6O/c23-18-6-4-16(5-7-18)21-26-25-20-15-17(8-10-29(20)21)22(30)28-13-11-27(12-14-28)19-3-1-2-9-24-19/h1-10,15H,11-14H2
InChIKeyANMAXJTXGREDEY-UHFFFAOYSA-N
XLogP3.41
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110414643
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110336253
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 58716700
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanone
CID 53196908
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
3-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572311
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 11203262
(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 68801528

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 53196873) is [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccn2c(-c3ccc(Cl)cc3)nnc2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ANMAXJTXGREDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O/c23-18-6-4-16(5-7-18)21-26-25-20-15-17(8-10-29(20)21)22(30)28-13-11-27(12-14-28)19-3-1-2-9-24-19/h1-10,15H,11-14H2.
What are the key properties of [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 418.89 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53196873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).