1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C24H25F4N5O3S — CID 76525016

IUPAC1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCCCC(NC(=O)N1CC(C(F)(F)F)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C24H25F4N5O3S/c1-3-4-19(15-9-10-29-22(11-15)37(2,35)36)31-23(34)32-14-16(24(26,27)28)12-20-21(32)13-30-33(20)18-7-5-17(25)6-8-18/h5-11,13,16,19H,3-4,12,14H2,1-2H3,(H,31,34)
InChIKeyFWSAUIIOLGISJS-UHFFFAOYSA-N
MW539.56 g/mol
LogP4.60
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 76525016) has the molecular formula C24H25F4N5O3S and a molecular weight of 539.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID76525016
Molecular FormulaC24H25F4N5O3S
Molecular Weight539.56 g/mol
Exact Mass539.16
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCCCC(NC(=O)N1CC(C(F)(F)F)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C24H25F4N5O3S/c1-3-4-19(15-9-10-29-22(11-15)37(2,35)36)31-23(34)32-14-16(24(26,27)28)12-20-21(32)13-30-33(20)18-7-5-17(25)6-8-18/h5-11,13,16,19H,3-4,12,14H2,1-2H3,(H,31,34)
InChIKeyFWSAUIIOLGISJS-UHFFFAOYSA-N
XLogP4.60
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 76525016) is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CCCC(NC(=O)N1CC(C(F)(F)F)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is FWSAUIIOLGISJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N5O3S/c1-3-4-19(15-9-10-29-22(11-15)37(2,35)36)31-23(34)32-14-16(24(26,27)28)12-20-21(32)13-30-33(20)18-7-5-17(25)6-8-18/h5-11,13,16,19H,3-4,12,14H2,1-2H3,(H,31,34).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 539.56 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 76525016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).