1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine

C48H48F2N12O4S2 — CID 87686969

IUPAC1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine
SMILESCS(=O)(=O)c1ccc(N(c2ncnc3c2cnn3C2CCN(Cc3ccccc3)CC2)N(c2ccc(S(C)(=O)=O)cc2F)c2ncnc3c2cnn3C2CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C48H48F2N12O4S2/c1-67(63,64)37-13-15-43(41(49)25-37)61(47-39-27-55-59(45(39)51-31-53-47)35-17-21-57(22-18-35)29-33-9-5-3-6-10-33)62(44-16-14-38(26-42(44)50)68(2,65)66)48-40-28-56-60(46(40)52-32-54-48)36-19-23-58(24-20-36)30-34-11-7-4-8-12-34/h3-16,25-28,31-32,35-36H,17-24,29-30H2,1-2H3
InChIKeySWAWLSZRXOJBOR-UHFFFAOYSA-N
MW959.12 g/mol
LogP7.62
Rot. Bonds13

About 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine

1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine (PubChem CID 87686969) has the molecular formula C48H48F2N12O4S2 and a molecular weight of 959.12 g/mol. Its IUPAC name is 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine.

Molecular Properties

Compound Name1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine
PubChem CID87686969
Molecular FormulaC48H48F2N12O4S2
Molecular Weight959.12 g/mol
Exact Mass958.33
IUPAC Name1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine
SMILESCS(=O)(=O)c1ccc(N(c2ncnc3c2cnn3C2CCN(Cc3ccccc3)CC2)N(c2ccc(S(C)(=O)=O)cc2F)c2ncnc3c2cnn3C2CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C48H48F2N12O4S2/c1-67(63,64)37-13-15-43(41(49)25-37)61(47-39-27-55-59(45(39)51-31-53-47)35-17-21-57(22-18-35)29-33-9-5-3-6-10-33)62(44-16-14-38(26-42(44)50)68(2,65)66)48-40-28-56-60(46(40)52-32-54-48)36-19-23-58(24-20-36)30-34-11-7-4-8-12-34/h3-16,25-28,31-32,35-36H,17-24,29-30H2,1-2H3
InChIKeySWAWLSZRXOJBOR-UHFFFAOYSA-N
XLogP7.62
TPSA168.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.12
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine?
The IUPAC name of 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine (CID 87686969) is 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine.
What is the SMILES notation for 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine?
The canonical SMILES for 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine is CS(=O)(=O)c1ccc(N(c2ncnc3c2cnn3C2CCN(Cc3ccccc3)CC2)N(c2ccc(S(C)(=O)=O)cc2F)c2ncnc3c2cnn3C2CCN(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine?
The InChIKey is SWAWLSZRXOJBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48F2N12O4S2/c1-67(63,64)37-13-15-43(41(49)25-37)61(47-39-27-55-59(45(39)51-31-53-47)35-17-21-57(22-18-35)29-33-9-5-3-6-10-33)62(44-16-14-38(26-42(44)50)68(2,65)66)48-40-28-56-60(46(40)52-32-54-48)36-19-23-58(24-20-36)30-34-11-7-4-8-12-34/h3-16,25-28,31-32,35-36H,17-24,29-30H2,1-2H3.
What are the key properties of 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine?
1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine has a molecular weight of 959.12 g/mol, XLogP of 7.62, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[1-(1-benzylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,2-bis(2-fluoro-4-methylsulfonylphenyl)hydrazine is sourced from PubChem (CID 87686969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).