6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide

C22H19F2N5O2S — CID 74221188

IUPAC6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc2cnn(Cc3cccc4c3CNCC4)c2cc1F
InChIInChI=1S/C22H19F2N5O2S/c23-17-4-5-22(26-11-17)28-32(30,31)21-8-16-10-27-29(20(16)9-19(21)24)13-15-3-1-2-14-6-7-25-12-18(14)15/h1-5,8-11,25H,6-7,12-13H2,(H,26,28)
InChIKeyQGLUAAQECRJFMK-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.20
Rot. Bonds5

About 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide

6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide (PubChem CID 74221188) has the molecular formula C22H19F2N5O2S and a molecular weight of 455.49 g/mol. Its IUPAC name is 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide.

Molecular Properties

Compound Name6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide
PubChem CID74221188
Molecular FormulaC22H19F2N5O2S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc2cnn(Cc3cccc4c3CNCC4)c2cc1F
InChIInChI=1S/C22H19F2N5O2S/c23-17-4-5-22(26-11-17)28-32(30,31)21-8-16-10-27-29(20(16)9-19(21)24)13-15-3-1-2-14-6-7-25-12-18(14)15/h1-5,8-11,25H,6-7,12-13H2,(H,26,28)
InChIKeyQGLUAAQECRJFMK-UHFFFAOYSA-N
XLogP3.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide?
The IUPAC name of 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide (CID 74221188) is 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide.
What is the SMILES notation for 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide?
The canonical SMILES for 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide is O=S(=O)(Nc1ccc(F)cn1)c1cc2cnn(Cc3cccc4c3CNCC4)c2cc1F.
What is the InChIKey of 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide?
The InChIKey is QGLUAAQECRJFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2S/c23-17-4-5-22(26-11-17)28-32(30,31)21-8-16-10-27-29(20(16)9-19(21)24)13-15-3-1-2-14-6-7-25-12-18(14)15/h1-5,8-11,25H,6-7,12-13H2,(H,26,28).
What are the key properties of 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide?
6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide has a molecular weight of 455.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(5-fluoro-2-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)indazole-5-sulfonamide is sourced from PubChem (CID 74221188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).