sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide

C38H43N10NaO3S — CID 162065413

IUPACsodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide
SMILESCn1cc(-c2[nH]nc3ncc(C4CCCCC4)cc23)cn1.Cn1cc(-c2nn(S(=O)(=O)c3ccccc3)c3ncc(C4CCCCC4)cc23)cn1.[Na+].[OH-]
InChIInChI=1S/C22H23N5O2S.C16H19N5.Na.H2O/c1-26-15-18(14-24-26)21-20-12-17(16-8-4-2-5-9-16)13-23-22(20)27(25-21)30(28,29)19-10-6-3-7-11-19;1-21-10-13(9-18-21)15-14-7-12(8-17-16(14)20-19-15)11-5-3-2-4-6-11;;/h3,6-7,10-16H,2,4-5,8-9H2,1H3;7-11H,2-6H2,1H3,(H,17,19,20);;1H2/q;;+1;/p-1
InChIKeyZAJWGNNGSVWPDQ-UHFFFAOYSA-M
MW742.89 g/mol
LogP4.35
Rot. Bonds6

About sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide

sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide (PubChem CID 162065413) has the molecular formula C38H43N10NaO3S and a molecular weight of 742.89 g/mol. Its IUPAC name is sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide.

Molecular Properties

Compound Namesodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide
PubChem CID162065413
Molecular FormulaC38H43N10NaO3S
Molecular Weight742.89 g/mol
Exact Mass742.31
IUPAC Namesodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide
SMILESCn1cc(-c2[nH]nc3ncc(C4CCCCC4)cc23)cn1.Cn1cc(-c2nn(S(=O)(=O)c3ccccc3)c3ncc(C4CCCCC4)cc23)cn1.[Na+].[OH-]
InChIInChI=1S/C22H23N5O2S.C16H19N5.Na.H2O/c1-26-15-18(14-24-26)21-20-12-17(16-8-4-2-5-9-16)13-23-22(20)27(25-21)30(28,29)19-10-6-3-7-11-19;1-21-10-13(9-18-21)15-14-7-12(8-17-16(14)20-19-15)11-5-3-2-4-6-11;;/h3,6-7,10-16H,2,4-5,8-9H2,1H3;7-11H,2-6H2,1H3,(H,17,19,20);;1H2/q;;+1;/p-1
InChIKeyZAJWGNNGSVWPDQ-UHFFFAOYSA-M
XLogP4.35
TPSA172.06 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide?
The IUPAC name of sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide (CID 162065413) is sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide.
What is the SMILES notation for sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide?
The canonical SMILES for sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide is Cn1cc(-c2[nH]nc3ncc(C4CCCCC4)cc23)cn1.Cn1cc(-c2nn(S(=O)(=O)c3ccccc3)c3ncc(C4CCCCC4)cc23)cn1.[Na+].[OH-].
What is the InChIKey of sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide?
The InChIKey is ZAJWGNNGSVWPDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23N5O2S.C16H19N5.Na.H2O/c1-26-15-18(14-24-26)21-20-12-17(16-8-4-2-5-9-16)13-23-22(20)27(25-21)30(28,29)19-10-6-3-7-11-19;1-21-10-13(9-18-21)15-14-7-12(8-17-16(14)20-19-15)11-5-3-2-4-6-11;;/h3,6-7,10-16H,2,4-5,8-9H2,1H3;7-11H,2-6H2,1H3,(H,17,19,20);;1H2/q;;+1;/p-1.
What are the key properties of sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide?
sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide has a molecular weight of 742.89 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-(benzenesulfonyl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;hydroxide is sourced from PubChem (CID 162065413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).