2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide

C22H35FN6O2Si — CID 174143663

IUPAC2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide
SMILESCn1nc(NCC(=O)NC(Cc2cccnc2)C(N)=O)cc1[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H35FN6O2Si/c1-21(2,3)32(23,22(4,5)6)19-12-17(28-29(19)7)26-14-18(30)27-16(20(24)31)11-15-9-8-10-25-13-15/h8-10,12-13,16H,11,14H2,1-7H3,(H2,24,31)(H,26,28)(H,27,30)
InChIKeyBZQNVYKCZWHHHC-UHFFFAOYSA-N
MW462.65 g/mol
LogP2.16
Rot. Bonds8

About 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide

2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide (PubChem CID 174143663) has the molecular formula C22H35FN6O2Si and a molecular weight of 462.65 g/mol. Its IUPAC name is 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide
PubChem CID174143663
Molecular FormulaC22H35FN6O2Si
Molecular Weight462.65 g/mol
Exact Mass462.26
IUPAC Name2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide
SMILESCn1nc(NCC(=O)NC(Cc2cccnc2)C(N)=O)cc1[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H35FN6O2Si/c1-21(2,3)32(23,22(4,5)6)19-12-17(28-29(19)7)26-14-18(30)27-16(20(24)31)11-15-9-8-10-25-13-15/h8-10,12-13,16H,11,14H2,1-7H3,(H2,24,31)(H,26,28)(H,27,30)
InChIKeyBZQNVYKCZWHHHC-UHFFFAOYSA-N
XLogP2.16
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.65
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide (CID 174143663) is 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide is Cn1nc(NCC(=O)NC(Cc2cccnc2)C(N)=O)cc1[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide?
The InChIKey is BZQNVYKCZWHHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN6O2Si/c1-21(2,3)32(23,22(4,5)6)19-12-17(28-29(19)7)26-14-18(30)27-16(20(24)31)11-15-9-8-10-25-13-15/h8-10,12-13,16H,11,14H2,1-7H3,(H2,24,31)(H,26,28)(H,27,30).
What are the key properties of 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide?
2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide has a molecular weight of 462.65 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-[ditert-butyl(fluoro)silyl]-1-methylpyrazol-3-yl]amino]acetyl]amino]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 174143663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).