1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C28H26FN5O5S2 — CID 59278403

IUPAC1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)cn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H26FN5O5S2/c1-4-25(26-13-22(40(3,36)37)17-33(26)41(38,39)21-11-5-18(2)6-12-21)32-28(35)24-14-30-16-27-23(24)15-31-34(27)20-9-7-19(29)8-10-20/h5-17,25H,4H2,1-3H3,(H,32,35)/t25-/m1/s1
InChIKeyUVOOYSYSGCPRAJ-RUZDIDTESA-N
MW595.68 g/mol
LogP4.19
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278403) has the molecular formula C28H26FN5O5S2 and a molecular weight of 595.68 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278403
Molecular FormulaC28H26FN5O5S2
Molecular Weight595.68 g/mol
Exact Mass595.14
IUPAC Name1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)cn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H26FN5O5S2/c1-4-25(26-13-22(40(3,36)37)17-33(26)41(38,39)21-11-5-18(2)6-12-21)32-28(35)24-14-30-16-27-23(24)15-31-34(27)20-9-7-19(29)8-10-20/h5-17,25H,4H2,1-3H3,(H,32,35)/t25-/m1/s1
InChIKeyUVOOYSYSGCPRAJ-RUZDIDTESA-N
XLogP4.19
TPSA133.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.68
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278403) is 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)cn1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is UVOOYSYSGCPRAJ-RUZDIDTESA-N. The full InChI is InChI=1S/C28H26FN5O5S2/c1-4-25(26-13-22(40(3,36)37)17-33(26)41(38,39)21-11-5-18(2)6-12-21)32-28(35)24-14-30-16-27-23(24)15-31-34(27)20-9-7-19(29)8-10-20/h5-17,25H,4H2,1-3H3,(H,32,35)/t25-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 595.68 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1R)-1-[1-(4-methylphenyl)sulfonyl-4-methylsulfonylpyrrol-2-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).