5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole

C21H22N6O2S — CID 118674487

IUPAC5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
SMILESO=S(=O)(c1cccnc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C21H22N6O2S/c28-30(29,20-2-1-7-22-14-20)26-8-5-16(6-9-26)15-27-21-4-3-17(10-18(21)13-25-27)19-11-23-24-12-19/h1-4,7,10-14,16H,5-6,8-9,15H2,(H,23,24)
InChIKeyQPLOMQIJINUBKB-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.92
Rot. Bonds5

About 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole

5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole (PubChem CID 118674487) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
PubChem CID118674487
Molecular FormulaC21H22N6O2S
Molecular Weight422.51 g/mol
Exact Mass422.15
IUPAC Name5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
SMILESO=S(=O)(c1cccnc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C21H22N6O2S/c28-30(29,20-2-1-7-22-14-20)26-8-5-16(6-9-26)15-27-21-4-3-17(10-18(21)13-25-27)19-11-23-24-12-19/h1-4,7,10-14,16H,5-6,8-9,15H2,(H,23,24)
InChIKeyQPLOMQIJINUBKB-UHFFFAOYSA-N
XLogP2.92
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Elnd-007
CID 46912223
5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
CID 25127876
(1S,8R)-13-fluoro-15-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552253
4-Methyl-5-(pyridin-2-ylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864341
4-Methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864527
5-(pyridin-4-yl)-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole
CID 46886344
10-Phenyl-12-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 56679252
US9156811, Ddd73332
CID 57400517
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
CID 155424832
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole?
The IUPAC name of 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole (CID 118674487) is 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole is O=S(=O)(c1cccnc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole?
The InChIKey is QPLOMQIJINUBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S/c28-30(29,20-2-1-7-22-14-20)26-8-5-16(6-9-26)15-27-21-4-3-17(10-18(21)13-25-27)19-11-23-24-12-19/h1-4,7,10-14,16H,5-6,8-9,15H2,(H,23,24).
What are the key properties of 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole?
5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole has a molecular weight of 422.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole is sourced from PubChem (CID 118674487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).