N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H22N8O2S — CID 66554586

IUPACN-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3csc(N4CCOCC4)n3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C24H22N8O2S/c1-16-3-5-17(6-4-16)32-21(28-23(33)18-14-26-31-8-2-7-25-22(18)31)13-19(29-32)20-15-35-24(27-20)30-9-11-34-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,28,33)
InChIKeyQBBLJUIDHCKLPU-UHFFFAOYSA-N
MW486.56 g/mol
LogP3.44
Rot. Bonds5

About N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554586) has the molecular formula C24H22N8O2S and a molecular weight of 486.56 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554586
Molecular FormulaC24H22N8O2S
Molecular Weight486.56 g/mol
Exact Mass486.16
IUPAC NameN-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3csc(N4CCOCC4)n3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C24H22N8O2S/c1-16-3-5-17(6-4-16)32-21(28-23(33)18-14-26-31-8-2-7-25-22(18)31)13-19(29-32)20-15-35-24(27-20)30-9-11-34-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,28,33)
InChIKeyQBBLJUIDHCKLPU-UHFFFAOYSA-N
XLogP3.44
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)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-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554586) is N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(-c3csc(N4CCOCC4)n3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QBBLJUIDHCKLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2S/c1-16-3-5-17(6-4-16)32-21(28-23(33)18-14-26-31-8-2-7-25-22(18)31)13-19(29-32)20-15-35-24(27-20)30-9-11-34-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,28,33).
What are the key properties of N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 486.56 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).