N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C26H29N7O — CID 53067547

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C26H29N7O/c34-26(22-9-11-23(12-10-22)33-25-24(29-30-33)8-4-13-27-25)28-14-5-15-31-16-18-32(19-17-31)20-21-6-2-1-3-7-21/h1-4,6-13H,5,14-20H2,(H,28,34)
InChIKeyVHMZTWPWTVDFNF-UHFFFAOYSA-N
MW455.57 g/mol
LogP2.75
Rot. Bonds8

About N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067547) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067547
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C26H29N7O/c34-26(22-9-11-23(12-10-22)33-25-24(29-30-33)8-4-13-27-25)28-14-5-15-31-16-18-32(19-17-31)20-21-6-2-1-3-7-21/h1-4,6-13H,5,14-20H2,(H,28,34)
InChIKeyVHMZTWPWTVDFNF-UHFFFAOYSA-N
XLogP2.75
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069742
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 20887292
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069744
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069827
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006218
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46416964
N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006193
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55852638
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006219
N-[3-(4-benzylpiperazin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010295
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55634096

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067547) is N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(-n2nnc3cccnc32)cc1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is VHMZTWPWTVDFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c34-26(22-9-11-23(12-10-22)33-25-24(29-30-33)8-4-13-27-25)28-14-5-15-31-16-18-32(19-17-31)20-21-6-2-1-3-7-21/h1-4,6-13H,5,14-20H2,(H,28,34).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 455.57 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).