3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one

C21H19F3N4O3S — CID 129246346

IUPAC3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
SMILESO=C1CN(S(=O)(=O)CCC(F)(F)F)Cc2[nH]c(-c3ccncc3)c(Nc3ccccc3)c21
InChIInChI=1S/C21H19F3N4O3S/c22-21(23,24)8-11-32(30,31)28-12-16-18(17(29)13-28)20(26-15-4-2-1-3-5-15)19(27-16)14-6-9-25-10-7-14/h1-7,9-10,26-27H,8,11-13H2
InChIKeyVSNMZFWYYGTBAM-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.10
Rot. Bonds6

About 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one

3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one (PubChem CID 129246346) has the molecular formula C21H19F3N4O3S and a molecular weight of 464.47 g/mol. Its IUPAC name is 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
PubChem CID129246346
Molecular FormulaC21H19F3N4O3S
Molecular Weight464.47 g/mol
Exact Mass464.11
IUPAC Name3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
SMILESO=C1CN(S(=O)(=O)CCC(F)(F)F)Cc2[nH]c(-c3ccncc3)c(Nc3ccccc3)c21
InChIInChI=1S/C21H19F3N4O3S/c22-21(23,24)8-11-32(30,31)28-12-16-18(17(29)13-28)20(26-15-4-2-1-3-5-15)19(27-16)14-6-9-25-10-7-14/h1-7,9-10,26-27H,8,11-13H2
InChIKeyVSNMZFWYYGTBAM-UHFFFAOYSA-N
XLogP4.10
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
The IUPAC name of 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one (CID 129246346) is 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one.
What is the SMILES notation for 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
The canonical SMILES for 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one is O=C1CN(S(=O)(=O)CCC(F)(F)F)Cc2[nH]c(-c3ccncc3)c(Nc3ccccc3)c21.
What is the InChIKey of 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
The InChIKey is VSNMZFWYYGTBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3S/c22-21(23,24)8-11-32(30,31)28-12-16-18(17(29)13-28)20(26-15-4-2-1-3-5-15)19(27-16)14-6-9-25-10-7-14/h1-7,9-10,26-27H,8,11-13H2.
What are the key properties of 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one has a molecular weight of 464.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-pyridin-4-yl-6-(3,3,3-trifluoropropylsulfonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one is sourced from PubChem (CID 129246346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).