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

C21H23N7O2S — CID 118930254

IUPAC6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCN(S(C)(=O)=O)CC5)c4)c3c2)cn1
InChIInChI=1S/C21H23N7O2S/c1-25-15-18(14-23-25)16-3-4-17-13-24-28(20(17)11-16)19-5-6-22-21(12-19)26-7-9-27(10-8-26)31(2,29)30/h3-6,11-15H,7-10H2,1-2H3
InChIKeyUYKJACMQMMNYFK-UHFFFAOYSA-N
MW437.53 g/mol
LogP1.90
Rot. Bonds4

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

6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole (PubChem CID 118930254) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole
PubChem CID118930254
Molecular FormulaC21H23N7O2S
Molecular Weight437.53 g/mol
Exact Mass437.16
IUPAC Name6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCN(S(C)(=O)=O)CC5)c4)c3c2)cn1
InChIInChI=1S/C21H23N7O2S/c1-25-15-18(14-23-25)16-3-4-17-13-24-28(20(17)11-16)19-5-6-22-21(12-19)26-7-9-27(10-8-26)31(2,29)30/h3-6,11-15H,7-10H2,1-2H3
InChIKeyUYKJACMQMMNYFK-UHFFFAOYSA-N
XLogP1.90
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 51.90
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-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole (CID 118930254) is 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole is Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCN(S(C)(=O)=O)CC5)c4)c3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole?
The InChIKey is UYKJACMQMMNYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S/c1-25-15-18(14-23-25)16-3-4-17-13-24-28(20(17)11-16)19-5-6-22-21(12-19)26-7-9-27(10-8-26)31(2,29)30/h3-6,11-15H,7-10H2,1-2H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole?
6-(1-methylpyrazol-4-yl)-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole has a molecular weight of 437.53 g/mol, XLogP of 1.90, 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-methylsulfonylpiperazin-1-yl)-4-pyridinyl]indazole is sourced from PubChem (CID 118930254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).