6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide

C23H21F2N5O2S — CID 74221385

IUPAC6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide
SMILESC[C@H](c1cccc2c1CNCC2)n1ncc2cc(S(=O)(=O)Nc3cccc(F)n3)c(F)cc21
InChIInChI=1S/C23H21F2N5O2S/c1-14(17-5-2-4-15-8-9-26-13-18(15)17)30-20-11-19(24)21(10-16(20)12-27-30)33(31,32)29-23-7-3-6-22(25)28-23/h2-7,10-12,14,26H,8-9,13H2,1H3,(H,28,29)/t14-/m1/s1
InChIKeyBDXVDLWUWAYQKL-CQSZACIVSA-N
MW469.52 g/mol
LogP3.77
Rot. Bonds5

About 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide

6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide (PubChem CID 74221385) has the molecular formula C23H21F2N5O2S and a molecular weight of 469.52 g/mol. Its IUPAC name is 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide.

Molecular Properties

Compound Name6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide
PubChem CID74221385
Molecular FormulaC23H21F2N5O2S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC Name6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide
SMILESC[C@H](c1cccc2c1CNCC2)n1ncc2cc(S(=O)(=O)Nc3cccc(F)n3)c(F)cc21
InChIInChI=1S/C23H21F2N5O2S/c1-14(17-5-2-4-15-8-9-26-13-18(15)17)30-20-11-19(24)21(10-16(20)12-27-30)33(31,32)29-23-7-3-6-22(25)28-23/h2-7,10-12,14,26H,8-9,13H2,1H3,(H,28,29)/t14-/m1/s1
InChIKeyBDXVDLWUWAYQKL-CQSZACIVSA-N
XLogP3.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide?
The IUPAC name of 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide (CID 74221385) is 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide.
What is the SMILES notation for 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide?
The canonical SMILES for 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide is C[C@H](c1cccc2c1CNCC2)n1ncc2cc(S(=O)(=O)Nc3cccc(F)n3)c(F)cc21.
What is the InChIKey of 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide?
The InChIKey is BDXVDLWUWAYQKL-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21F2N5O2S/c1-14(17-5-2-4-15-8-9-26-13-18(15)17)30-20-11-19(24)21(10-16(20)12-27-30)33(31,32)29-23-7-3-6-22(25)28-23/h2-7,10-12,14,26H,8-9,13H2,1H3,(H,28,29)/t14-/m1/s1.
What are the key properties of 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide?
6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide has a molecular weight of 469.52 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(6-fluoro-2-pyridinyl)-1-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]indazole-5-sulfonamide is sourced from PubChem (CID 74221385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).