1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole

C24H24FN5O2S — CID 167337328

IUPAC1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CC=C(c3ccc4c(cnn4-c4ccc(F)cc4)c3)CC2)cn1
InChIInChI=1S/C24H24FN5O2S/c1-2-11-28-17-23(16-26-28)33(31,32)29-12-9-18(10-13-29)19-3-8-24-20(14-19)15-27-30(24)22-6-4-21(25)5-7-22/h3-9,14-17H,2,10-13H2,1H3
InChIKeyHRAXGDFYMWNWEC-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.25
Rot. Bonds6

About 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole

1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole (PubChem CID 167337328) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
PubChem CID167337328
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CC=C(c3ccc4c(cnn4-c4ccc(F)cc4)c3)CC2)cn1
InChIInChI=1S/C24H24FN5O2S/c1-2-11-28-17-23(16-26-28)33(31,32)29-12-9-18(10-13-29)19-3-8-24-20(14-19)15-27-30(24)22-6-4-21(25)5-7-22/h3-9,14-17H,2,10-13H2,1H3
InChIKeyHRAXGDFYMWNWEC-UHFFFAOYSA-N
XLogP4.25
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2s)-1-[[1-(4-Fluorophenyl)indazol-4-Yl]amino]propan-2-Yl]-2,4,6-Trimethyl-Benzenesulfonamide
CID 16666386
1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71578921
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
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936449
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
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73349253
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-methyl-3-phenylpropyl]ethanesulfonamide
CID 73355320
(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11656415
1-cyclopentyl-N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665449

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole (CID 167337328) is 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole is CCCn1cc(S(=O)(=O)N2CC=C(c3ccc4c(cnn4-c4ccc(F)cc4)c3)CC2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
The InChIKey is HRAXGDFYMWNWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-2-11-28-17-23(16-26-28)33(31,32)29-12-9-18(10-13-29)19-3-8-24-20(14-19)15-27-30(24)22-6-4-21(25)5-7-22/h3-9,14-17H,2,10-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole?
1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole has a molecular weight of 465.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indazole is sourced from PubChem (CID 167337328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).