3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole

C30H25FN4O2S — CID 159163571

IUPAC3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)cccc4[nH]3)c2c1
InChIInChI=1S/C30H25FN4O2S/c1-18-8-10-32-17-26(18)20-6-7-28-25(15-20)30(35-34-28)29-16-24-23(4-3-5-27(24)33-29)21-12-19(13-22(31)14-21)9-11-38(2,36)37/h3-8,10,12-17,33H,9,11H2,1-2H3,(H,34,35)
InChIKeyKKUIQWVIFRDQLF-UHFFFAOYSA-N
MW524.62 g/mol
LogP6.47
Rot. Bonds6

About 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole

3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole (PubChem CID 159163571) has the molecular formula C30H25FN4O2S and a molecular weight of 524.62 g/mol. Its IUPAC name is 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
PubChem CID159163571
Molecular FormulaC30H25FN4O2S
Molecular Weight524.62 g/mol
Exact Mass524.17
IUPAC Name3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)cccc4[nH]3)c2c1
InChIInChI=1S/C30H25FN4O2S/c1-18-8-10-32-17-26(18)20-6-7-28-25(15-20)30(35-34-28)29-16-24-23(4-3-5-27(24)33-29)21-12-19(13-22(31)14-21)9-11-38(2,36)37/h3-8,10,12-17,33H,9,11H2,1-2H3,(H,34,35)
InChIKeyKKUIQWVIFRDQLF-UHFFFAOYSA-N
XLogP6.47
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole with MolForge

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Related Compounds

N-[[5-[3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 157286632
3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 158944947
3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 152833329
N-[5-[3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 159015163
4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 147325254
2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137116375
3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 158097283
3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
CID 137117097
N-[[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137310724
N-[[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137116136
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137113403
N-[5-[3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 161452465

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?
The IUPAC name of 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole (CID 159163571) is 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?
The canonical SMILES for 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole is Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cc(F)cc(CCS(C)(=O)=O)c5)cccc4[nH]3)c2c1.
What is the InChIKey of 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?
The InChIKey is KKUIQWVIFRDQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O2S/c1-18-8-10-32-17-26(18)20-6-7-28-25(15-20)30(35-34-28)29-16-24-23(4-3-5-27(24)33-29)21-12-19(13-22(31)14-21)9-11-38(2,36)37/h3-8,10,12-17,33H,9,11H2,1-2H3,(H,34,35).
What are the key properties of 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?
3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole has a molecular weight of 524.62 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 159163571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).