N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

C24H27N7O — CID 78841970

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc3ccccn23)CC1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H27N7O/c32-23(25-12-9-19-16-26-31(17-19)21-6-2-1-3-7-21)18-29-14-10-20(11-15-29)24-28-27-22-8-4-5-13-30(22)24/h1-8,13,16-17,20H,9-12,14-15,18H2,(H,25,32)
InChIKeyVSHGSPJPYGEHQF-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide (PubChem CID 78841970) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
PubChem CID78841970
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc3ccccn23)CC1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H27N7O/c32-23(25-12-9-19-16-26-31(17-19)21-6-2-1-3-7-21)18-29-14-10-20(11-15-29)24-28-27-22-8-4-5-13-30(22)24/h1-8,13,16-17,20H,9-12,14-15,18H2,(H,25,32)
InChIKeyVSHGSPJPYGEHQF-UHFFFAOYSA-N
XLogP2.45
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
N-[(1-phenylcyclopentyl)methyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78841683
N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide
CID 165434280
N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide
CID 78818292
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
CID 55567246
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818259
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16613855
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86908992
1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
CID 42025013
N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818080
N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 24664708
N-(3-methoxyphenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95188322

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide (CID 78841970) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2nnc3ccccn23)CC1)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
The InChIKey is VSHGSPJPYGEHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c32-23(25-12-9-19-16-26-31(17-19)21-6-2-1-3-7-21)18-29-14-10-20(11-15-29)24-28-27-22-8-4-5-13-30(22)24/h1-8,13,16-17,20H,9-12,14-15,18H2,(H,25,32).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide has a molecular weight of 429.53 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 78841970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).