1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole

C25H25FN4O2S — CID 166917335

IUPAC1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2ccccn2)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C25H25FN4O2S/c1-18-13-24-19(16-28-30(24)22-8-6-20(26)7-9-22)14-23(18)25(15-21-5-3-4-11-27-21)10-12-29(17-25)33(2,31)32/h3-9,11,13-14,16H,10,12,15,17H2,1-2H3
InChIKeyHLVICQNGUUTEJC-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole

1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole (PubChem CID 166917335) has the molecular formula C25H25FN4O2S and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole
PubChem CID166917335
Molecular FormulaC25H25FN4O2S
Molecular Weight464.57 g/mol
Exact Mass464.17
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2ccccn2)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C25H25FN4O2S/c1-18-13-24-19(16-28-30(24)22-8-6-20(26)7-9-22)14-23(18)25(15-21-5-3-4-11-27-21)10-12-29(17-25)33(2,31)32/h3-9,11,13-14,16H,10,12,15,17H2,1-2H3
InChIKeyHLVICQNGUUTEJC-UHFFFAOYSA-N
XLogP4.01
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]methanesulfonamide
CID 24936311
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936314
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propane-1-sulfonamide
CID 59251055
2-[4-[4-(1-Methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,2-thiazolidine 1,1-dioxide
CID 118660623
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 46831700
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 46831701
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 46831957
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 46832237
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole
CID 71508683

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole (CID 166917335) is 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1(Cc2ccccn2)CCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole?
The InChIKey is HLVICQNGUUTEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2S/c1-18-13-24-19(16-28-30(24)22-8-6-20(26)7-9-22)14-23(18)25(15-21-5-3-4-11-27-21)10-12-29(17-25)33(2,31)32/h3-9,11,13-14,16H,10,12,15,17H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole has a molecular weight of 464.57 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-[1-methylsulfonyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]indazole is sourced from PubChem (CID 166917335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).