6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole

C22H24N6O2S — CID 118930297

IUPAC6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(S(C)(=O)=O)CC5)c4)c3c2)cn1
InChIInChI=1S/C22H24N6O2S/c1-26-15-18(14-24-26)16-3-4-17-13-25-28(21(17)11-16)19-5-8-23-22(12-19)27-9-6-20(7-10-27)31(2,29)30/h3-5,8,11-15,20H,6-7,9-10H2,1-2H3
InChIKeyXTCYGSYBXTWENT-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.83
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole

6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole (PubChem CID 118930297) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole
PubChem CID118930297
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(S(C)(=O)=O)CC5)c4)c3c2)cn1
InChIInChI=1S/C22H24N6O2S/c1-26-15-18(14-24-26)16-3-4-17-13-25-28(21(17)11-16)19-5-8-23-22(12-19)27-9-6-20(7-10-27)31(2,29)30/h3-5,8,11-15,20H,6-7,9-10H2,1-2H3
InChIKeyXTCYGSYBXTWENT-UHFFFAOYSA-N
XLogP2.83
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole (CID 118930297) is 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole is Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCC(S(C)(=O)=O)CC5)c4)c3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole?
The InChIKey is XTCYGSYBXTWENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-26-15-18(14-24-26)16-3-4-17-13-25-28(21(17)11-16)19-5-8-23-22(12-19)27-9-6-20(7-10-27)31(2,29)30/h3-5,8,11-15,20H,6-7,9-10H2,1-2H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole?
6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole has a molecular weight of 436.54 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazole is sourced from PubChem (CID 118930297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).