3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide

C22H28N6O2 — CID 134126658

IUPAC3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide
SMILESCOc1ccc(C2NNCC2C(=O)NC(CC(C)C)c2nnc3ccccn23)cc1
InChIInChI=1S/C22H28N6O2/c1-14(2)12-18(21-27-25-19-6-4-5-11-28(19)21)24-22(29)17-13-23-26-20(17)15-7-9-16(30-3)10-8-15/h4-11,14,17-18,20,23,26H,12-13H2,1-3H3,(H,24,29)
InChIKeySSLJBCJKBDTKQW-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.41
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide

3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide (PubChem CID 134126658) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide
PubChem CID134126658
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide
SMILESCOc1ccc(C2NNCC2C(=O)NC(CC(C)C)c2nnc3ccccn23)cc1
InChIInChI=1S/C22H28N6O2/c1-14(2)12-18(21-27-25-19-6-4-5-11-28(19)21)24-22(29)17-13-23-26-20(17)15-7-9-16(30-3)10-8-15/h4-11,14,17-18,20,23,26H,12-13H2,1-3H3,(H,24,29)
InChIKeySSLJBCJKBDTKQW-UHFFFAOYSA-N
XLogP2.41
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134081139
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-[(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-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 29139599
(3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 124841348
N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 99870982
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
4-methyl-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 71829366
N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 99871117
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 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide (CID 134126658) is 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide is COc1ccc(C2NNCC2C(=O)NC(CC(C)C)c2nnc3ccccn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide?
The InChIKey is SSLJBCJKBDTKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-14(2)12-18(21-27-25-19-6-4-5-11-28(19)21)24-22(29)17-13-23-26-20(17)15-7-9-16(30-3)10-8-15/h4-11,14,17-18,20,23,26H,12-13H2,1-3H3,(H,24,29).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide?
3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 134126658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).