N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H25FN4O3S — CID 10458371

IUPACN-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C26H25FN4O3S/c27-21-13-11-19(12-14-21)22-15-28-25-23(16-29-31(25)24(22)20-9-5-2-6-10-20)26(32)30-35(33,34)17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,30,32)
InChIKeyUKHIXZRGUBEFJT-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.84
Rot. Bonds6

About N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 10458371) has the molecular formula C26H25FN4O3S and a molecular weight of 492.58 g/mol. Its IUPAC name is N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID10458371
Molecular FormulaC26H25FN4O3S
Molecular Weight492.58 g/mol
Exact Mass492.16
IUPAC NameN-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C26H25FN4O3S/c27-21-13-11-19(12-14-21)22-15-28-25-23(16-29-31(25)24(22)20-9-5-2-6-10-20)26(32)30-35(33,34)17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,30,32)
InChIKeyUKHIXZRGUBEFJT-UHFFFAOYSA-N
XLogP4.84
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 10458371) is N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NS(=O)(=O)Cc1ccccc1)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12.
What is the InChIKey of N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UKHIXZRGUBEFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3S/c27-21-13-11-19(12-14-21)22-15-28-25-23(16-29-31(25)24(22)20-9-5-2-6-10-20)26(32)30-35(33,34)17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,30,32).
What are the key properties of N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 10458371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).