N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide

C28H40N4O3Si — CID 168938393

IUPACN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide
SMILESCC(C)(O)C1CCC(NC(=O)c2ccc(-c3nccc4c3cnn4COCC[Si](C)(C)C)cc2)CC1
InChIInChI=1S/C28H40N4O3Si/c1-28(2,34)22-10-12-23(13-11-22)31-27(33)21-8-6-20(7-9-21)26-24-18-30-32(25(24)14-15-29-26)19-35-16-17-36(3,4)5/h6-9,14-15,18,22-23,34H,10-13,16-17,19H2,1-5H3,(H,31,33)
InChIKeyCZTNAQQHOKXLJN-UHFFFAOYSA-N
MW508.74 g/mol
LogP5.47
Rot. Bonds9

About N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide (PubChem CID 168938393) has the molecular formula C28H40N4O3Si and a molecular weight of 508.74 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide
PubChem CID168938393
Molecular FormulaC28H40N4O3Si
Molecular Weight508.74 g/mol
Exact Mass508.29
IUPAC NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide
SMILESCC(C)(O)C1CCC(NC(=O)c2ccc(-c3nccc4c3cnn4COCC[Si](C)(C)C)cc2)CC1
InChIInChI=1S/C28H40N4O3Si/c1-28(2,34)22-10-12-23(13-11-22)31-27(33)21-8-6-20(7-9-21)26-24-18-30-32(25(24)14-15-29-26)19-35-16-17-36(3,4)5/h6-9,14-15,18,22-23,34H,10-13,16-17,19H2,1-5H3,(H,31,33)
InChIKeyCZTNAQQHOKXLJN-UHFFFAOYSA-N
XLogP5.47
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.74
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide
CID 162519496
4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide
CID 168938402
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
CID 162519539
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 54577000
tert-butyl 4-[[5-cyano-4-[1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 171839783
4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 166901154
ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate
CID 169304015
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxyethyl)cyclohexyl]benzamide
CID 162519495
N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
CID 167374682
N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900588

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide (CID 168938393) is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide is CC(C)(O)C1CCC(NC(=O)c2ccc(-c3nccc4c3cnn4COCC[Si](C)(C)C)cc2)CC1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide?
The InChIKey is CZTNAQQHOKXLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O3Si/c1-28(2,34)22-10-12-23(13-11-22)31-27(33)21-8-6-20(7-9-21)26-24-18-30-32(25(24)14-15-29-26)19-35-16-17-36(3,4)5/h6-9,14-15,18,22-23,34H,10-13,16-17,19H2,1-5H3,(H,31,33).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide?
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide has a molecular weight of 508.74 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide is sourced from PubChem (CID 168938393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).