2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C29H45N7O3Si — CID 156733878

IUPAC2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1cc(-c2c(C(C)C)c(C(=O)C(=O)NC3CCN(C(C)C)CC3)nn2COCC[Si](C)(C)C)cn2ncnc12
InChIInChI=1S/C29H45N7O3Si/c1-19(2)24-25(27(37)29(38)32-23-9-11-34(12-10-23)20(3)4)33-36(18-39-13-14-40(6,7)8)26(24)22-15-21(5)28-30-17-31-35(28)16-22/h15-17,19-20,23H,9-14,18H2,1-8H3,(H,32,38)
InChIKeyVEJRBQRVMGSNLL-UHFFFAOYSA-N
MW567.81 g/mol
LogP4.51
Rot. Bonds11

About 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 156733878) has the molecular formula C29H45N7O3Si and a molecular weight of 567.81 g/mol. Its IUPAC name is 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID156733878
Molecular FormulaC29H45N7O3Si
Molecular Weight567.81 g/mol
Exact Mass567.34
IUPAC Name2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1cc(-c2c(C(C)C)c(C(=O)C(=O)NC3CCN(C(C)C)CC3)nn2COCC[Si](C)(C)C)cn2ncnc12
InChIInChI=1S/C29H45N7O3Si/c1-19(2)24-25(27(37)29(38)32-23-9-11-34(12-10-23)20(3)4)33-36(18-39-13-14-40(6,7)8)26(24)22-15-21(5)28-30-17-31-35(28)16-22/h15-17,19-20,23H,9-14,18H2,1-8H3,(H,32,38)
InChIKeyVEJRBQRVMGSNLL-UHFFFAOYSA-N
XLogP4.51
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxoacetic acid
CID 156733828
tert-butyl N-[2-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]propan-2-yl]carbamate
CID 164883715
tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate
CID 175776701
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876637
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 140776895
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
2-(dimethylamino)-N-[1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]acetamide
CID 155226197
N-cyclopropyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-piperidin-4-yl-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876046
5-[3-chloro-5-(prop-2-enoylamino)phenyl]-N-(1-methylpiperidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
CID 162527738
2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 166314729
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17447722
1-[2-(2,6-dimethylphenoxy)ethyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317094

Frequently Asked Questions

What is the IUPAC name of 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 156733878) is 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide is Cc1cc(-c2c(C(C)C)c(C(=O)C(=O)NC3CCN(C(C)C)CC3)nn2COCC[Si](C)(C)C)cn2ncnc12.
What is the InChIKey of 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is VEJRBQRVMGSNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N7O3Si/c1-19(2)24-25(27(37)29(38)32-23-9-11-34(12-10-23)20(3)4)33-36(18-39-13-14-40(6,7)8)26(24)22-15-21(5)28-30-17-31-35(28)16-22/h15-17,19-20,23H,9-14,18H2,1-8H3,(H,32,38).
What are the key properties of 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 567.81 g/mol, XLogP of 4.51, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 156733878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).