CID 89055607

C24H23BClN5O2S — CID 89055607

IUPAC—
SMILES[B]c1cnn2c(NCC3CCCN(S(=O)(=O)c4ccccc4)C3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C24H23BClN5O2S/c25-20-15-28-31-23(13-22(29-24(20)31)19-10-4-5-11-21(19)26)27-14-17-7-6-12-30(16-17)34(32,33)18-8-2-1-3-9-18/h1-5,8-11,13,15,17,27H,6-7,12,14,16H2
InChIKeyMYXZRTIOUABMLV-UHFFFAOYSA-N
MW491.81 g/mol
LogP3.36
Rot. Bonds6

About CID 89055607

CID 89055607 (PubChem CID 89055607) has the molecular formula C24H23BClN5O2S and a molecular weight of 491.81 g/mol.

Molecular Properties

Compound NameCID 89055607
PubChem CID89055607
Molecular FormulaC24H23BClN5O2S
Molecular Weight491.81 g/mol
Exact Mass491.14
IUPAC Name—
SMILES[B]c1cnn2c(NCC3CCCN(S(=O)(=O)c4ccccc4)C3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C24H23BClN5O2S/c25-20-15-28-31-23(13-22(29-24(20)31)19-10-4-5-11-21(19)26)27-14-17-7-6-12-30(16-17)34(32,33)18-8-2-1-3-9-18/h1-5,8-11,13,15,17,27H,6-7,12,14,16H2
InChIKeyMYXZRTIOUABMLV-UHFFFAOYSA-N
XLogP3.36
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 89055902
CID 89055902
CID 89055606
CID 89055606
3-bromo-N-[[1-(4-bromophenyl)sulfonylpiperidin-3-yl]methyl]-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067069
5-(2-chlorophenyl)-3-methyl-N-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 71213619
3-bromo-N-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58781278
3-bromo-5-(2-chlorophenyl)-N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066799
5-(2-chlorophenyl)-3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 71213622
3-bromo-5-(2-chlorophenyl)-N-[[1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066711
3-bromo-5-(2-chlorophenyl)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066666
CID 89056111
CID 89056111
3-bromo-5-(2-chlorophenyl)-N-[[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066869
3-bromo-5-(2-chlorophenyl)-N-[[1-(2-fluoro-4,6-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 71205377

Frequently Asked Questions

What is the IUPAC name of CID 89055607?
The IUPAC name of CID 89055607 (CID 89055607) is not available.
What is the SMILES notation for CID 89055607?
The canonical SMILES for CID 89055607 is [B]c1cnn2c(NCC3CCCN(S(=O)(=O)c4ccccc4)C3)cc(-c3ccccc3Cl)nc12.
What is the InChIKey of CID 89055607?
The InChIKey is MYXZRTIOUABMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BClN5O2S/c25-20-15-28-31-23(13-22(29-24(20)31)19-10-4-5-11-21(19)26)27-14-17-7-6-12-30(16-17)34(32,33)18-8-2-1-3-9-18/h1-5,8-11,13,15,17,27H,6-7,12,14,16H2.
What are the key properties of CID 89055607?
CID 89055607 has a molecular weight of 491.81 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89055607 is sourced from PubChem (CID 89055607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).