CID 169111772

C25H36N6O3Si- — CID 169111772

IUPAC—
SMILESCCC(C)N(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si-](C)(C)C)c12
InChIInChI=1S/C25H36N6O3Si/c1-6-18(2)30(16-19-10-8-7-9-11-19)25(33)24(32)29-21-15-27-23(26)20-14-28-31(22(20)21)17-34-12-13-35(3,4)5/h7-11,14-15,18H,6,12-13,16-17H2,1-5H3,(H2,26,27)(H,29,32)/q-1
InChIKeyVPFYTYWUGCTFSM-UHFFFAOYSA-N
MW496.69 g/mol
LogP4.09
Rot. Bonds10

About CID 169111772

CID 169111772 (PubChem CID 169111772) has the molecular formula C25H36N6O3Si- and a molecular weight of 496.69 g/mol.

Molecular Properties

Compound NameCID 169111772
PubChem CID169111772
Molecular FormulaC25H36N6O3Si-
Molecular Weight496.69 g/mol
Exact Mass496.26
IUPAC Name—
SMILESCCC(C)N(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si-](C)(C)C)c12
InChIInChI=1S/C25H36N6O3Si/c1-6-18(2)30(16-19-10-8-7-9-11-19)25(33)24(32)29-21-15-27-23(26)20-14-28-31(22(20)21)17-34-12-13-35(3,4)5/h7-11,14-15,18H,6,12-13,16-17H2,1-5H3,(H2,26,27)(H,29,32)/q-1
InChIKeyVPFYTYWUGCTFSM-UHFFFAOYSA-N
XLogP4.09
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.69
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide
CID 169112095
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide
CID 169112124
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper
CID 174057068
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 169111023
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 174057206
[4-amino-7-[[2-[ethyl(2-methylpropyl)amino]-2-oxoacetyl]amino]pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite
CID 169114519
2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate
CID 79345421
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[5-methyl-2-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]piperidin-1-yl]-2-oxoacetamide
CID 169114561
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-tert-butyl-5-methylpiperidin-1-yl)-2-oxoacetamide;2-(2-tert-butyl-5-methylpiperidin-1-yl)-2-oxoacetamide
CID 174054496
2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide
CID 120618159
butyl 2-[[2-[benzyl(propan-2-yl)amino]-2-oxoacetyl]amino]benzoate
CID 108503409

Frequently Asked Questions

What is the IUPAC name of CID 169111772?
The IUPAC name of CID 169111772 (CID 169111772) is not available.
What is the SMILES notation for CID 169111772?
The canonical SMILES for CID 169111772 is CCC(C)N(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si-](C)(C)C)c12.
What is the InChIKey of CID 169111772?
The InChIKey is VPFYTYWUGCTFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O3Si/c1-6-18(2)30(16-19-10-8-7-9-11-19)25(33)24(32)29-21-15-27-23(26)20-14-28-31(22(20)21)17-34-12-13-35(3,4)5/h7-11,14-15,18H,6,12-13,16-17H2,1-5H3,(H2,26,27)(H,29,32)/q-1.
What are the key properties of CID 169111772?
CID 169111772 has a molecular weight of 496.69 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169111772 is sourced from PubChem (CID 169111772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).