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

C27H31N7O2 — CID 53069827

IUPACN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3ccc(C)c(-n4nnc5cccnc54)c3)CC2)cc1
InChIInChI=1S/C27H31N7O2/c1-20-6-7-21(19-25(20)34-26-24(30-31-34)5-3-12-28-26)27(35)29-13-4-14-32-15-17-33(18-16-32)22-8-10-23(36-2)11-9-22/h3,5-12,19H,4,13-18H2,1-2H3,(H,29,35)
InChIKeyUGRHHHVLMIBBHU-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.07
Rot. Bonds8

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

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53069827) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53069827
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3ccc(C)c(-n4nnc5cccnc54)c3)CC2)cc1
InChIInChI=1S/C27H31N7O2/c1-20-6-7-21(19-25(20)34-26-24(30-31-34)5-3-12-28-26)27(35)29-13-4-14-32-15-17-33(18-16-32)22-8-10-23(36-2)11-9-22/h3,5-12,19H,4,13-18H2,1-2H3,(H,29,35)
InChIKeyUGRHHHVLMIBBHU-UHFFFAOYSA-N
XLogP3.07
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069744
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069742
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067547
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42224724
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
3-cyano-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 39990286
3-amino-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 35412998
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53069827) is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is COc1ccc(N2CCN(CCCNC(=O)c3ccc(C)c(-n4nnc5cccnc54)c3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is UGRHHHVLMIBBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-20-6-7-21(19-25(20)34-26-24(30-31-34)5-3-12-28-26)27(35)29-13-4-14-32-15-17-33(18-16-32)22-8-10-23(36-2)11-9-22/h3,5-12,19H,4,13-18H2,1-2H3,(H,29,35).
What are the key properties of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 485.59 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53069827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).