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

C24H32N6O2 — CID 134126708

IUPAC2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
SMILESCOc1ccc(C2NNC(C)C2CC(=O)NC(CC(C)C)c2nnc3ccccn23)cc1
InChIInChI=1S/C24H32N6O2/c1-15(2)13-20(24-29-27-21-7-5-6-12-30(21)24)25-22(31)14-19-16(3)26-28-23(19)17-8-10-18(32-4)11-9-17/h5-12,15-16,19-20,23,26,28H,13-14H2,1-4H3,(H,25,31)
InChIKeyKVNQOPQMWQRGQD-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.19
Rot. Bonds8

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

2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide (PubChem CID 134126708) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
PubChem CID134126708
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
SMILESCOc1ccc(C2NNC(C)C2CC(=O)NC(CC(C)C)c2nnc3ccccn23)cc1
InChIInChI=1S/C24H32N6O2/c1-15(2)13-20(24-29-27-21-7-5-6-12-30(21)24)25-22(31)14-19-16(3)26-28-23(19)17-8-10-18(32-4)11-9-17/h5-12,15-16,19-20,23,26,28H,13-14H2,1-4H3,(H,25,31)
InChIKeyKVNQOPQMWQRGQD-UHFFFAOYSA-N
XLogP3.19
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134081139
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
3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide
CID 134126658
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-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 91640680
2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 124873450
2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 29139599
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide
CID 133143535
N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 71828269
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-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91823099
3-acetamido-3-(4-methoxyphenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 55465975

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The IUPAC name of 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) is 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is COc1ccc(C2NNC(C)C2CC(=O)NC(CC(C)C)c2nnc3ccccn23)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The InChIKey is KVNQOPQMWQRGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-15(2)13-20(24-29-27-21-7-5-6-12-30(21)24)25-22(31)14-19-16(3)26-28-23(19)17-8-10-18(32-4)11-9-17/h5-12,15-16,19-20,23,26,28H,13-14H2,1-4H3,(H,25,31).
What are the key properties of 2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 3.19, 8 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-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is sourced from PubChem (CID 134126708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).