2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C21H26N6O2 — CID 134081139

IUPAC2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc(C2NNC(C)C2CC(=O)NC(C)c2nnc3ccccn23)cc1
InChIInChI=1S/C21H26N6O2/c1-13-17(20(25-23-13)15-7-9-16(29-3)10-8-15)12-19(28)22-14(2)21-26-24-18-6-4-5-11-27(18)21/h4-11,13-14,17,20,23,25H,12H2,1-3H3,(H,22,28)
InChIKeySGCIZONSLPBQMI-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.16
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 134081139) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID134081139
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc(C2NNC(C)C2CC(=O)NC(C)c2nnc3ccccn23)cc1
InChIInChI=1S/C21H26N6O2/c1-13-17(20(25-23-13)15-7-9-16(29-3)10-8-15)12-19(28)22-14(2)21-26-24-18-6-4-5-11-27(18)21/h4-11,13-14,17,20,23,25H,12H2,1-3H3,(H,22,28)
InChIKeySGCIZONSLPBQMI-UHFFFAOYSA-N
XLogP2.16
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 133141908
2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 133141907
2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 134126708
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide
CID 133143535
2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 91638940
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71828927
3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide
CID 134126658
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 42954364
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2-naphthalen-2-yloxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51247700
2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride
CID 119836844
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 52511547

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 134081139) is 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is COc1ccc(C2NNC(C)C2CC(=O)NC(C)c2nnc3ccccn23)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is SGCIZONSLPBQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13-17(20(25-23-13)15-7-9-16(29-3)10-8-15)12-19(28)22-14(2)21-26-24-18-6-4-5-11-27(18)21/h4-11,13-14,17,20,23,25H,12H2,1-3H3,(H,22,28).
What are the key properties of 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 134081139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).