N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H28N8O3S — CID 66557146

IUPACN-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C28H28N8O3S/c1-20-4-8-22(9-5-20)36-26(31-28(37)24-19-30-35-13-3-12-29-27(24)35)18-25(32-36)21-6-10-23(11-7-21)40(38,39)34-16-14-33(2)15-17-34/h3-13,18-19H,14-17H2,1-2H3,(H,31,37)
InChIKeySRRZYLHFASNRJG-UHFFFAOYSA-N
MW556.65 g/mol
LogP3.08
Rot. Bonds6

About N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66557146) has the molecular formula C28H28N8O3S and a molecular weight of 556.65 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66557146
Molecular FormulaC28H28N8O3S
Molecular Weight556.65 g/mol
Exact Mass556.20
IUPAC NameN-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C28H28N8O3S/c1-20-4-8-22(9-5-20)36-26(31-28(37)24-19-30-35-13-3-12-29-27(24)35)18-25(32-36)21-6-10-23(11-7-21)40(38,39)34-16-14-33(2)15-17-34/h3-13,18-19H,14-17H2,1-2H3,(H,31,37)
InChIKeySRRZYLHFASNRJG-UHFFFAOYSA-N
XLogP3.08
TPSA117.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.65
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]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 N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66557146) is N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SRRZYLHFASNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O3S/c1-20-4-8-22(9-5-20)36-26(31-28(37)24-19-30-35-13-3-12-29-27(24)35)18-25(32-36)21-6-10-23(11-7-21)40(38,39)34-16-14-33(2)15-17-34/h3-13,18-19H,14-17H2,1-2H3,(H,31,37).
What are the key properties of N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 556.65 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66557146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).