N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine

C28H37N5O5S3Si — CID 25149719

IUPACN-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine
SMILESCc1cc(-n2ccc(-c3nccs3)n2)c(CCO[Si](C)(C)C(C)(C)C)c(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)n1
InChIInChI=1S/C28H37N5O5S3Si/c1-19-17-24(33-14-11-23(32-33)27-29-13-16-39-27)21(12-15-38-42(7,8)28(2,3)4)26(30-19)31-22-10-9-20(40(5,34)35)18-25(22)41(6,36)37/h9-11,13-14,16-18H,12,15H2,1-8H3,(H,30,31)
InChIKeyGECYHUKTINKTOG-UHFFFAOYSA-N
MW647.92 g/mol
LogP5.81
Rot. Bonds10

About N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine

N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine (PubChem CID 25149719) has the molecular formula C28H37N5O5S3Si and a molecular weight of 647.92 g/mol. Its IUPAC name is N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine
PubChem CID25149719
Molecular FormulaC28H37N5O5S3Si
Molecular Weight647.92 g/mol
Exact Mass647.17
IUPAC NameN-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine
SMILESCc1cc(-n2ccc(-c3nccs3)n2)c(CCO[Si](C)(C)C(C)(C)C)c(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)n1
InChIInChI=1S/C28H37N5O5S3Si/c1-19-17-24(33-14-11-23(32-33)27-29-13-16-39-27)21(12-15-38-42(7,8)28(2,3)4)26(30-19)31-22-10-9-20(40(5,34)35)18-25(22)41(6,36)37/h9-11,13-14,16-18H,12,15H2,1-8H3,(H,30,31)
InChIKeyGECYHUKTINKTOG-UHFFFAOYSA-N
XLogP5.81
TPSA133.14 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500647.92
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine?
The IUPAC name of N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine (CID 25149719) is N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine.
What is the SMILES notation for N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine?
The canonical SMILES for N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine is Cc1cc(-n2ccc(-c3nccs3)n2)c(CCO[Si](C)(C)C(C)(C)C)c(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)n1.
What is the InChIKey of N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine?
The InChIKey is GECYHUKTINKTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O5S3Si/c1-19-17-24(33-14-11-23(32-33)27-29-13-16-39-27)21(12-15-38-42(7,8)28(2,3)4)26(30-19)31-22-10-9-20(40(5,34)35)18-25(22)41(6,36)37/h9-11,13-14,16-18H,12,15H2,1-8H3,(H,30,31).
What are the key properties of N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine?
N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine has a molecular weight of 647.92 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine is sourced from PubChem (CID 25149719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).