N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide

C29H36ClFN4O4SSi — CID 176892213

IUPACN-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1ncc(C(=O)C2CCC(O[Si](C)(C)C(C)(C)C)CC2)s1
InChIInChI=1S/C29H36ClFN4O4SSi/c1-16-12-19(23-21(38-5)14-33-26(30)24(23)31)20(13-32-16)27(37)35-28-34-15-22(40-28)25(36)17-8-10-18(11-9-17)39-41(6,7)29(2,3)4/h12-15,17-18H,8-11H2,1-7H3,(H,34,35,37)
InChIKeyHCDISVYBCYOKNY-UHFFFAOYSA-N
MW619.24 g/mol
LogP7.73
Rot. Bonds8

About N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide

N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 176892213) has the molecular formula C29H36ClFN4O4SSi and a molecular weight of 619.24 g/mol. Its IUPAC name is N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
PubChem CID176892213
Molecular FormulaC29H36ClFN4O4SSi
Molecular Weight619.24 g/mol
Exact Mass618.19
IUPAC NameN-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1ncc(C(=O)C2CCC(O[Si](C)(C)C(C)(C)C)CC2)s1
InChIInChI=1S/C29H36ClFN4O4SSi/c1-16-12-19(23-21(38-5)14-33-26(30)24(23)31)20(13-32-16)27(37)35-28-34-15-22(40-28)25(36)17-8-10-18(11-9-17)39-41(6,7)29(2,3)4/h12-15,17-18H,8-11H2,1-7H3,(H,34,35,37)
InChIKeyHCDISVYBCYOKNY-UHFFFAOYSA-N
XLogP7.73
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.24
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176892234
4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-[[(2S)-1,4-dioxan-2-yl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 167102993
butane;4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;3-propoxypentane
CID 163390836
4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-(4,4-difluoropiperidin-1-yl)-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-methylpyridine-3-carboxamide
CID 177252322
4-(3-fluoro-5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[5-(oxetan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 166163492
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(cyclopentanecarbonyl)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176892198
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 166163344
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176892278
N-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
CID 175747267
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(4-propoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 166162807
N-[5-[4-(hydroxymethyl)cyclohexyl]oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 166163481
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[3-(trifluoromethyl)cyclobutanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833610

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide (CID 176892213) is N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide is COc1cnc(Cl)c(F)c1-c1cc(C)ncc1C(=O)Nc1ncc(C(=O)C2CCC(O[Si](C)(C)C(C)(C)C)CC2)s1.
What is the InChIKey of N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The InChIKey is HCDISVYBCYOKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClFN4O4SSi/c1-16-12-19(23-21(38-5)14-33-26(30)24(23)31)20(13-32-16)27(37)35-28-34-15-22(40-28)25(36)17-8-10-18(11-9-17)39-41(6,7)29(2,3)4/h12-15,17-18H,8-11H2,1-7H3,(H,34,35,37).
What are the key properties of N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?
N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 619.24 g/mol, XLogP of 7.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexanecarbonyl]-1,3-thiazol-2-yl]-4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176892213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).