N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide

C24H26ClF2N5O3S2Si — CID 153307292

IUPACN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide
SMILESCSc1nc2c(C(=O)Nc3cnn(COCC[Si](C)(C)C)c3-c3cc(Cl)ccc3OC(F)F)cncc2s1
InChIInChI=1S/C24H26ClF2N5O3S2Si/c1-36-24-31-20-16(10-28-12-19(20)37-24)22(33)30-17-11-29-32(13-34-7-8-38(2,3)4)21(17)15-9-14(25)5-6-18(15)35-23(26)27/h5-6,9-12,23H,7-8,13H2,1-4H3,(H,30,33)
InChIKeyXGEKRCBKGKKXRP-UHFFFAOYSA-N
MW598.17 g/mol
LogP7.10
Rot. Bonds11

About N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide

N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide (PubChem CID 153307292) has the molecular formula C24H26ClF2N5O3S2Si and a molecular weight of 598.17 g/mol. Its IUPAC name is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide
PubChem CID153307292
Molecular FormulaC24H26ClF2N5O3S2Si
Molecular Weight598.17 g/mol
Exact Mass597.09
IUPAC NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide
SMILESCSc1nc2c(C(=O)Nc3cnn(COCC[Si](C)(C)C)c3-c3cc(Cl)ccc3OC(F)F)cncc2s1
InChIInChI=1S/C24H26ClF2N5O3S2Si/c1-36-24-31-20-16(10-28-12-19(20)37-24)22(33)30-17-11-29-32(13-34-7-8-38(2,3)4)21(17)15-9-14(25)5-6-18(15)35-23(26)27/h5-6,9-12,23H,7-8,13H2,1-4H3,(H,30,33)
InChIKeyXGEKRCBKGKKXRP-UHFFFAOYSA-N
XLogP7.10
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.17
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140912239
2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150079028
N-[5-[5-bromo-4-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142622245
N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140956825
N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153278796
2-[[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140912300
N-[5-(5-chloro-2-methoxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 131983030
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 142427478
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160944423
5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-amine
CID 155421362
6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
CID 106551160
(2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol
CID 162609313

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide?
The IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide (CID 153307292) is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide?
The canonical SMILES for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide is CSc1nc2c(C(=O)Nc3cnn(COCC[Si](C)(C)C)c3-c3cc(Cl)ccc3OC(F)F)cncc2s1.
What is the InChIKey of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide?
The InChIKey is XGEKRCBKGKKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N5O3S2Si/c1-36-24-31-20-16(10-28-12-19(20)37-24)22(33)30-17-11-29-32(13-34-7-8-38(2,3)4)21(17)15-9-14(25)5-6-18(15)35-23(26)27/h5-6,9-12,23H,7-8,13H2,1-4H3,(H,30,33).
What are the key properties of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide?
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide has a molecular weight of 598.17 g/mol, XLogP of 7.10, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 153307292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).