1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole

C26H30FN5O2S — CID 163478733

IUPAC1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CCC(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C(C)C2)cn1
InChIInChI=1S/C26H30FN5O2S/c1-4-10-30-17-23(15-28-30)35(33,34)31-11-9-24(19(3)16-31)25-13-20-14-29-32(26(20)12-18(25)2)22-7-5-21(27)6-8-22/h5-8,12-15,17,19,24H,4,9-11,16H2,1-3H3
InChIKeyCCSHIFYQEHQGOA-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.89
Rot. Bonds6

About 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole

1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole (PubChem CID 163478733) has the molecular formula C26H30FN5O2S and a molecular weight of 495.62 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole
PubChem CID163478733
Molecular FormulaC26H30FN5O2S
Molecular Weight495.62 g/mol
Exact Mass495.21
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CCC(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C(C)C2)cn1
InChIInChI=1S/C26H30FN5O2S/c1-4-10-30-17-23(15-28-30)35(33,34)31-11-9-24(19(3)16-31)25-13-20-14-29-32(26(20)12-18(25)2)22-7-5-21(27)6-8-22/h5-8,12-15,17,19,24H,4,9-11,16H2,1-3H3
InChIKeyCCSHIFYQEHQGOA-UHFFFAOYSA-N
XLogP4.89
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
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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]ethanesulfonamide
CID 73355320
N-[(2S)-4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16665608
2-[4-[4-(1-Methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,2-thiazolidine 1,1-dioxide
CID 118660623
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
CID 155424832
N-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide
CID 134817805
4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 46831699
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]propane-1-sulfonamide
CID 46831957
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46831958

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole (CID 163478733) is 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole is CCCn1cc(S(=O)(=O)N2CCC(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C(C)C2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
The InChIKey is CCSHIFYQEHQGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2S/c1-4-10-30-17-23(15-28-30)35(33,34)31-11-9-24(19(3)16-31)25-13-20-14-29-32(26(20)12-18(25)2)22-7-5-21(27)6-8-22/h5-8,12-15,17,19,24H,4,9-11,16H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole has a molecular weight of 495.62 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-[3-methyl-1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole is sourced from PubChem (CID 163478733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).