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

C25H28FN5O2S — CID 163619812

IUPAC1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CCC(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)CC2)cn1
InChIInChI=1S/C25H28FN5O2S/c1-3-10-29-17-23(16-27-29)34(32,33)30-11-8-19(9-12-30)24-14-20-15-28-31(25(20)13-18(24)2)22-6-4-21(26)5-7-22/h4-7,13-17,19H,3,8-12H2,1-2H3
InChIKeyHNCXPHQRAZISQN-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.65
Rot. Bonds6

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

1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole (PubChem CID 163619812) has the molecular formula C25H28FN5O2S and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole
PubChem CID163619812
Molecular FormulaC25H28FN5O2S
Molecular Weight481.60 g/mol
Exact Mass481.19
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CCC(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)CC2)cn1
InChIInChI=1S/C25H28FN5O2S/c1-3-10-29-17-23(16-27-29)34(32,33)30-11-8-19(9-12-30)24-14-20-15-28-31(25(20)13-18(24)2)22-6-4-21(26)5-7-22/h4-7,13-17,19H,3,8-12H2,1-2H3
InChIKeyHNCXPHQRAZISQN-UHFFFAOYSA-N
XLogP4.65
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole (CID 163619812) is 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole is CCCn1cc(S(=O)(=O)N2CCC(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)CC2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
The InChIKey is HNCXPHQRAZISQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2S/c1-3-10-29-17-23(16-27-29)34(32,33)30-11-8-19(9-12-30)24-14-20-15-28-31(25(20)13-18(24)2)22-6-4-21(26)5-7-22/h4-7,13-17,19H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole has a molecular weight of 481.60 g/mol, XLogP of 4.65, 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-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole is sourced from PubChem (CID 163619812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).