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

C30H25N5O5S — CID 71625912

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)n4nc(-c5ccccc5)cc4n3)sc2c1
InChIInChI=1S/C30H25N5O5S/c1-37-19-10-11-20-26(14-19)41-30(32-20)33-29(36)22-15-23(18-12-24(38-2)28(40-4)25(13-18)39-3)35-27(31-22)16-21(34-35)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,32,33,36)
InChIKeyWWUXNSVHENLWAE-UHFFFAOYSA-N
MW567.63 g/mol
LogP5.96
Rot. Bonds8

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 71625912) has the molecular formula C30H25N5O5S and a molecular weight of 567.63 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID71625912
Molecular FormulaC30H25N5O5S
Molecular Weight567.63 g/mol
Exact Mass567.16
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)n4nc(-c5ccccc5)cc4n3)sc2c1
InChIInChI=1S/C30H25N5O5S/c1-37-19-10-11-20-26(14-19)41-30(32-20)33-29(36)22-15-23(18-12-24(38-2)28(40-4)25(13-18)39-3)35-27(31-22)16-21(34-35)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,32,33,36)
InChIKeyWWUXNSVHENLWAE-UHFFFAOYSA-N
XLogP5.96
TPSA109.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.63
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(6-methoxy-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-methoxy-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-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 71625912) is N-(6-methoxy-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-methoxy-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-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc2nc(NC(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)n4nc(-c5ccccc5)cc4n3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is WWUXNSVHENLWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O5S/c1-37-19-10-11-20-26(14-19)41-30(32-20)33-29(36)22-15-23(18-12-24(38-2)28(40-4)25(13-18)39-3)35-27(31-22)16-21(34-35)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,32,33,36).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 567.63 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 71625912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).