N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide

C25H26FN5O2S — CID 74324563

IUPACN-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCN(c3cccc4c3cnn4-c3ccc(F)nc3)C2)c(C)c1
InChIInChI=1S/C25H26FN5O2S/c1-16-11-17(2)25(18(3)12-16)34(32,33)29-19-9-10-30(15-19)22-5-4-6-23-21(22)14-28-31(23)20-7-8-24(26)27-13-20/h4-8,11-14,19,29H,9-10,15H2,1-3H3
InChIKeyRGFNWVUMSILGAH-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.04
Rot. Bonds5

About N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide

N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 74324563) has the molecular formula C25H26FN5O2S and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID74324563
Molecular FormulaC25H26FN5O2S
Molecular Weight479.58 g/mol
Exact Mass479.18
IUPAC NameN-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCN(c3cccc4c3cnn4-c3ccc(F)nc3)C2)c(C)c1
InChIInChI=1S/C25H26FN5O2S/c1-16-11-17(2)25(18(3)12-16)34(32,33)29-19-9-10-30(15-19)22-5-4-6-23-21(22)14-28-31(23)20-7-8-24(26)27-13-20/h4-8,11-14,19,29H,9-10,15H2,1-3H3
InChIKeyRGFNWVUMSILGAH-UHFFFAOYSA-N
XLogP4.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 24816318
N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 74324161
N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 167337299
5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 24815055
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
4-bromo-1-(6-fluoro-3-pyridinyl)indazole
CID 66687367
2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99822478
N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110871404
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
CID 163977915
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide
CID 86966758

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide (CID 74324563) is N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CCN(c3cccc4c3cnn4-c3ccc(F)nc3)C2)c(C)c1.
What is the InChIKey of N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is RGFNWVUMSILGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2S/c1-16-11-17(2)25(18(3)12-16)34(32,33)29-19-9-10-30(15-19)22-5-4-6-23-21(22)14-28-31(23)20-7-8-24(26)27-13-20/h4-8,11-14,19,29H,9-10,15H2,1-3H3.
What are the key properties of N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 479.58 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 74324563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).