N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C29H22ClN5O4S — CID 71625791

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)nc3cc(-c4ccccc4)nn23)cc(OC)c1OC
InChIInChI=1S/C29H22ClN5O4S/c1-37-23-11-17(12-24(38-2)27(23)39-3)22-14-21(28(36)33-29-32-19-10-9-18(30)13-25(19)40-29)31-26-15-20(34-35(22)26)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,32,33,36)
InChIKeyWUVKPBBIGNALFU-UHFFFAOYSA-N
MW572.05 g/mol
LogP6.60
Rot. Bonds7

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 71625791) has the molecular formula C29H22ClN5O4S and a molecular weight of 572.05 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID71625791
Molecular FormulaC29H22ClN5O4S
Molecular Weight572.05 g/mol
Exact Mass571.11
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)nc3cc(-c4ccccc4)nn23)cc(OC)c1OC
InChIInChI=1S/C29H22ClN5O4S/c1-37-23-11-17(12-24(38-2)27(23)39-3)22-14-21(28(36)33-29-32-19-10-9-18(30)13-25(19)40-29)31-26-15-20(34-35(22)26)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,32,33,36)
InChIKeyWUVKPBBIGNALFU-UHFFFAOYSA-N
XLogP6.60
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.05
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-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-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 71625791) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1cc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)nc3cc(-c4ccccc4)nn23)cc(OC)c1OC.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is WUVKPBBIGNALFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN5O4S/c1-37-23-11-17(12-24(38-2)27(23)39-3)22-14-21(28(36)33-29-32-19-10-9-18(30)13-25(19)40-29)31-26-15-20(34-35(22)26)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,32,33,36).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 572.05 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 71625791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).