1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole

C19H23N5O2S — CID 120763906

IUPAC1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole
SMILESCC(C)n1ncc2cc(S(=O)(=O)N3CCNCC3c3cccnc3)ccc21
InChIInChI=1S/C19H23N5O2S/c1-14(2)24-18-6-5-17(10-16(18)12-22-24)27(25,26)23-9-8-21-13-19(23)15-4-3-7-20-11-15/h3-7,10-12,14,19,21H,8-9,13H2,1-2H3
InChIKeyIJBYGNMLYVMMST-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.35
Rot. Bonds4

About 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole

1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole (PubChem CID 120763906) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole.

Molecular Properties

Compound Name1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole
PubChem CID120763906
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole
SMILESCC(C)n1ncc2cc(S(=O)(=O)N3CCNCC3c3cccnc3)ccc21
InChIInChI=1S/C19H23N5O2S/c1-14(2)24-18-6-5-17(10-16(18)12-22-24)27(25,26)23-9-8-21-13-19(23)15-4-3-7-20-11-15/h3-7,10-12,14,19,21H,8-9,13H2,1-2H3
InChIKeyIJBYGNMLYVMMST-UHFFFAOYSA-N
XLogP2.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride
CID 120763905
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120764328
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764094
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole?
The IUPAC name of 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole (CID 120763906) is 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole.
What is the SMILES notation for 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole?
The canonical SMILES for 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole is CC(C)n1ncc2cc(S(=O)(=O)N3CCNCC3c3cccnc3)ccc21.
What is the InChIKey of 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole?
The InChIKey is IJBYGNMLYVMMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-14(2)24-18-6-5-17(10-16(18)12-22-24)27(25,26)23-9-8-21-13-19(23)15-4-3-7-20-11-15/h3-7,10-12,14,19,21H,8-9,13H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole?
1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole has a molecular weight of 385.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole is sourced from PubChem (CID 120763906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).