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

C19H24ClN5O2S — CID 120763905

IUPAC1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride
SMILESCC(C)n1ncc2cc(S(=O)(=O)N3CCNCC3c3cccnc3)ccc21.Cl
InChIInChI=1S/C19H23N5O2S.ClH/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;1H
InChIKeyBFVXKEHHASRKMR-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.77
Rot. Bonds4

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

1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride (PubChem CID 120763905) has the molecular formula C19H24ClN5O2S and a molecular weight of 421.95 g/mol. Its IUPAC name is 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride.

Molecular Properties

Compound Name1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride
PubChem CID120763905
Molecular FormulaC19H24ClN5O2S
Molecular Weight421.95 g/mol
Exact Mass421.13
IUPAC Name1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride
SMILESCC(C)n1ncc2cc(S(=O)(=O)N3CCNCC3c3cccnc3)ccc21.Cl
InChIInChI=1S/C19H23N5O2S.ClH/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;1H
InChIKeyBFVXKEHHASRKMR-UHFFFAOYSA-N
XLogP2.77
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.77
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
CID 120763906
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
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-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120764328
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride?
The IUPAC name of 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride (CID 120763905) is 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride.
What is the SMILES notation for 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride?
The canonical SMILES for 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride is CC(C)n1ncc2cc(S(=O)(=O)N3CCNCC3c3cccnc3)ccc21.Cl.
What is the InChIKey of 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride?
The InChIKey is BFVXKEHHASRKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S.ClH/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;1H.
What are the key properties of 1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride?
1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 2.77, 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;hydrochloride is sourced from PubChem (CID 120763905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).