6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

C26H22F3N5O2S — CID 171828202

IUPAC6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCSCc1ccc(-c2cn(C)c(=O)cc2-c2cn(C)c(=O)c3[nH]c(-c4cnn(C(F)(F)F)c4)cc23)cc1
InChIInChI=1S/C26H22F3N5O2S/c1-32-12-20(16-6-4-15(5-7-16)14-37-3)18(9-23(32)35)21-13-33(2)25(36)24-19(21)8-22(31-24)17-10-30-34(11-17)26(27,28)29/h4-13,31H,14H2,1-3H3
InChIKeyXFVZFTZSYDWWEL-UHFFFAOYSA-N
MW525.56 g/mol
LogP5.10
Rot. Bonds5

About 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171828202) has the molecular formula C26H22F3N5O2S and a molecular weight of 525.56 g/mol. Its IUPAC name is 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID171828202
Molecular FormulaC26H22F3N5O2S
Molecular Weight525.56 g/mol
Exact Mass525.14
IUPAC Name6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCSCc1ccc(-c2cn(C)c(=O)cc2-c2cn(C)c(=O)c3[nH]c(-c4cnn(C(F)(F)F)c4)cc23)cc1
InChIInChI=1S/C26H22F3N5O2S/c1-32-12-20(16-6-4-15(5-7-16)14-37-3)18(9-23(32)35)21-13-33(2)25(36)24-19(21)8-22(31-24)17-10-30-34(11-17)26(27,28)29/h4-13,31H,14H2,1-3H3
InChIKeyXFVZFTZSYDWWEL-UHFFFAOYSA-N
XLogP5.10
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.56
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 171828202) is 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is CSCc1ccc(-c2cn(C)c(=O)cc2-c2cn(C)c(=O)c3[nH]c(-c4cnn(C(F)(F)F)c4)cc23)cc1.
What is the InChIKey of 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is XFVZFTZSYDWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2S/c1-32-12-20(16-6-4-15(5-7-16)14-37-3)18(9-23(32)35)21-13-33(2)25(36)24-19(21)8-22(31-24)17-10-30-34(11-17)26(27,28)29/h4-13,31H,14H2,1-3H3.
What are the key properties of 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 525.56 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[1-methyl-5-[4-(methylsulfanylmethyl)phenyl]-2-oxo-4-pyridinyl]-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).