2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide

C20H32FN5OSi — CID 174143437

IUPAC2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1nc(NCC(=O)NCc2cccnc2)cc1[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H32FN5OSi/c1-19(2,3)28(21,20(4,5)6)18-11-16(25-26(18)7)23-14-17(27)24-13-15-9-8-10-22-12-15/h8-12H,13-14H2,1-7H3,(H,23,25)(H,24,27)
InChIKeyZUMPOYPWARPTAG-UHFFFAOYSA-N
MW405.59 g/mol
LogP3.27
Rot. Bonds6

About 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide

2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 174143437) has the molecular formula C20H32FN5OSi and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID174143437
Molecular FormulaC20H32FN5OSi
Molecular Weight405.59 g/mol
Exact Mass405.24
IUPAC Name2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1nc(NCC(=O)NCc2cccnc2)cc1[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H32FN5OSi/c1-19(2,3)28(21,20(4,5)6)18-11-16(25-26(18)7)23-14-17(27)24-13-15-9-8-10-22-12-15/h8-12H,13-14H2,1-7H3,(H,23,25)(H,24,27)
InChIKeyZUMPOYPWARPTAG-UHFFFAOYSA-N
XLogP3.27
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 174144136
2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide
CID 174143663
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999536
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999581
2-[[2-(pyridin-3-ylmethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 142039705
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide (CID 174143437) is 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide is Cn1nc(NCC(=O)NCc2cccnc2)cc1[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZUMPOYPWARPTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN5OSi/c1-19(2,3)28(21,20(4,5)6)18-11-16(25-26(18)7)23-14-17(27)24-13-15-9-8-10-22-12-15/h8-12H,13-14H2,1-7H3,(H,23,25)(H,24,27).
What are the key properties of 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 405.59 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 174143437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).