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

C35H53N7O5Si2 — CID 169114561

IUPACN-[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
SMILESCC1CCC(c2ccc3c(c2)CCC(=O)N3COCC[Si](C)(C)C)N(C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)C1
InChIInChI=1S/C35H53N7O5Si2/c1-24-8-11-29(25-9-12-30-26(18-25)10-13-31(43)41(30)22-46-14-16-48(2,3)4)40(21-24)35(45)34(44)39-28-20-37-33(36)27-19-38-42(32(27)28)23-47-15-17-49(5,6)7/h9,12,18-20,24,29H,8,10-11,13-17,21-23H2,1-7H3,(H2,36,37)(H,39,44)
InChIKeyGOJZIYSKDXDRQH-UHFFFAOYSA-N
MW708.03 g/mol
LogP5.86
Rot. Bonds12

About 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

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 (PubChem CID 169114561) has the molecular formula C35H53N7O5Si2 and a molecular weight of 708.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID169114561
Molecular FormulaC35H53N7O5Si2
Molecular Weight708.03 g/mol
Exact Mass707.36
IUPAC NameN-[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
SMILESCC1CCC(c2ccc3c(c2)CCC(=O)N3COCC[Si](C)(C)C)N(C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)C1
InChIInChI=1S/C35H53N7O5Si2/c1-24-8-11-29(25-9-12-30-26(18-25)10-13-31(43)41(30)22-46-14-16-48(2,3)4)40(21-24)35(45)34(44)39-28-20-37-33(36)27-19-38-42(32(27)28)23-47-15-17-49(5,6)7/h9,12,18-20,24,29H,8,10-11,13-17,21-23H2,1-7H3,(H2,36,37)(H,39,44)
InChIKeyGOJZIYSKDXDRQH-UHFFFAOYSA-N
XLogP5.86
TPSA144.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.03
LogP ≤ 55.86
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC(c2ccc3c(c2)CCC(=O)N3COCC[Si](C)(C)C)N(C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)C1.
What is the InChIKey of 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?
The InChIKey is GOJZIYSKDXDRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53N7O5Si2/c1-24-8-11-29(25-9-12-30-26(18-25)10-13-31(43)41(30)22-46-14-16-48(2,3)4)40(21-24)35(45)34(44)39-28-20-37-33(36)27-19-38-42(32(27)28)23-47-15-17-49(5,6)7/h9,12,18-20,24,29H,8,10-11,13-17,21-23H2,1-7H3,(H2,36,37)(H,39,44).
What are the key properties of 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?
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 has a molecular weight of 708.03 g/mol, XLogP of 5.86, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169114561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).