5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one

C23H25ClN4O2Si — CID 142787464

IUPAC5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
SMILESCC[Si](C)(C)C#Cc1cccnc1Nc1nc(Cl)cn(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C23H25ClN4O2Si/c1-5-31(3,4)14-12-18-7-6-13-25-21(18)27-22-23(29)28(16-20(24)26-22)15-17-8-10-19(30-2)11-9-17/h6-11,13,16H,5,15H2,1-4H3,(H,25,26,27)
InChIKeyMFUCYQJWFJBQDS-UHFFFAOYSA-N
MW453.02 g/mol
LogP4.71
Rot. Bonds6

About 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one

5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one (PubChem CID 142787464) has the molecular formula C23H25ClN4O2Si and a molecular weight of 453.02 g/mol. Its IUPAC name is 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
PubChem CID142787464
Molecular FormulaC23H25ClN4O2Si
Molecular Weight453.02 g/mol
Exact Mass452.14
IUPAC Name5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
SMILESCC[Si](C)(C)C#Cc1cccnc1Nc1nc(Cl)cn(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C23H25ClN4O2Si/c1-5-31(3,4)14-12-18-7-6-13-25-21(18)27-22-23(29)28(16-20(24)26-22)15-17-8-10-19(30-2)11-9-17/h6-11,13,16H,5,15H2,1-4H3,(H,25,26,27)
InChIKeyMFUCYQJWFJBQDS-UHFFFAOYSA-N
XLogP4.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.02
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 154709738
5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one
CID 23629498
diethyl 2-[6-chloro-4-[(4-methoxyphenyl)methyl]-3-oxopyrazin-2-yl]propanedioate
CID 102289828
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 141379797
12-chloro-5-[(4-methoxyphenyl)methyl]-3-sulfanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 87414111
1,3-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 143044407
1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitroimidazole
CID 23242063
5-(2-bromoethynyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 58333129
1,3-bis[(4-methoxyphenyl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidine-2,4-dione
CID 154709853
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 156516413

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The IUPAC name of 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one (CID 142787464) is 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The canonical SMILES for 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one is CC[Si](C)(C)C#Cc1cccnc1Nc1nc(Cl)cn(Cc2ccc(OC)cc2)c1=O.
What is the InChIKey of 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The InChIKey is MFUCYQJWFJBQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2Si/c1-5-31(3,4)14-12-18-7-6-13-25-21(18)27-22-23(29)28(16-20(24)26-22)15-17-8-10-19(30-2)11-9-17/h6-11,13,16H,5,15H2,1-4H3,(H,25,26,27).
What are the key properties of 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one has a molecular weight of 453.02 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[3-[2-[ethyl(dimethyl)silyl]ethynyl]-2-pyridinyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 142787464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).