5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H23ClF2N6O3S — CID 69293088

IUPAC5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccc(Cl)cc5)nc34)c2)CC1
InChIInChI=1S/C25H23ClF2N6O3S/c1-32-9-11-33(12-10-32)38(36,37)19-4-2-3-18(13-19)30-25(35)20-15-29-34-22(23(27)28)14-21(31-24(20)34)16-5-7-17(26)8-6-16/h2-8,13-15,23H,9-12H2,1H3,(H,30,35)
InChIKeyWMBAMRIMECMCRA-UHFFFAOYSA-N
MW561.01 g/mol
LogP4.18
Rot. Bonds6

About 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 69293088) has the molecular formula C25H23ClF2N6O3S and a molecular weight of 561.01 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID69293088
Molecular FormulaC25H23ClF2N6O3S
Molecular Weight561.01 g/mol
Exact Mass560.12
IUPAC Name5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccc(Cl)cc5)nc34)c2)CC1
InChIInChI=1S/C25H23ClF2N6O3S/c1-32-9-11-33(12-10-32)38(36,37)19-4-2-3-18(13-19)30-25(35)20-15-29-34-22(23(27)28)14-21(31-24(20)34)16-5-7-17(26)8-6-16/h2-8,13-15,23H,9-12H2,1H3,(H,30,35)
InChIKeyWMBAMRIMECMCRA-UHFFFAOYSA-N
XLogP4.18
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.01
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 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 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 69293088) is 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccc(Cl)cc5)nc34)c2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WMBAMRIMECMCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N6O3S/c1-32-9-11-33(12-10-32)38(36,37)19-4-2-3-18(13-19)30-25(35)20-15-29-34-22(23(27)28)14-21(31-24(20)34)16-5-7-17(26)8-6-16/h2-8,13-15,23H,9-12H2,1H3,(H,30,35).
What are the key properties of 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 561.01 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 69293088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).