3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C26H27ClN6O — CID 50848583

IUPAC3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1ccn2c(-c3cccc(Cl)c3)nnc2c1
InChIInChI=1S/C26H27ClN6O/c27-22-7-4-6-20(18-22)25-30-29-24-19-21(10-13-33(24)25)26(34)28-11-5-12-31-14-16-32(17-15-31)23-8-2-1-3-9-23/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,28,34)
InChIKeyWBPRMUAYJXSFOM-UHFFFAOYSA-N
MW475.00 g/mol
LogP3.99
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 50848583) has the molecular formula C26H27ClN6O and a molecular weight of 475.00 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID50848583
Molecular FormulaC26H27ClN6O
Molecular Weight475.00 g/mol
Exact Mass474.19
IUPAC Name3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1ccn2c(-c3cccc(Cl)c3)nnc2c1
InChIInChI=1S/C26H27ClN6O/c27-22-7-4-6-20(18-22)25-30-29-24-19-21(10-13-33(24)25)26(34)28-11-5-12-31-14-16-32(17-15-31)23-8-2-1-3-9-23/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,28,34)
InChIKeyWBPRMUAYJXSFOM-UHFFFAOYSA-N
XLogP3.99
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.00
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 50848584
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818
5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431923
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197148
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 46426506

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 50848583) is 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccn2c(-c3cccc(Cl)c3)nnc2c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is WBPRMUAYJXSFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O/c27-22-7-4-6-20(18-22)25-30-29-24-19-21(10-13-33(24)25)26(34)28-11-5-12-31-14-16-32(17-15-31)23-8-2-1-3-9-23/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H,28,34).
What are the key properties of 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 475.00 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 50848583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).