7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C30H25N5O3S — CID 71624254

IUPAC7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc4cc(C)c(C)cc4s3)nc3cc(-c4ccccc4)nn23)cc1OC
InChIInChI=1S/C30H25N5O3S/c1-17-12-22-27(13-18(17)2)39-30(32-22)33-29(36)23-15-24(20-10-11-25(37-3)26(14-20)38-4)35-28(31-23)16-21(34-35)19-8-6-5-7-9-19/h5-16H,1-4H3,(H,32,33,36)
InChIKeyPPZRBUFAFCDHAU-UHFFFAOYSA-N
MW535.63 g/mol
LogP6.56
Rot. Bonds6

About 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 71624254) has the molecular formula C30H25N5O3S and a molecular weight of 535.63 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID71624254
Molecular FormulaC30H25N5O3S
Molecular Weight535.63 g/mol
Exact Mass535.17
IUPAC Name7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc4cc(C)c(C)cc4s3)nc3cc(-c4ccccc4)nn23)cc1OC
InChIInChI=1S/C30H25N5O3S/c1-17-12-22-27(13-18(17)2)39-30(32-22)33-29(36)23-15-24(20-10-11-25(37-3)26(14-20)38-4)35-28(31-23)16-21(34-35)19-8-6-5-7-9-19/h5-16H,1-4H3,(H,32,33,36)
InChIKeyPPZRBUFAFCDHAU-UHFFFAOYSA-N
XLogP6.56
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 12006095
N-(1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71624130
N-(1,3-benzothiazol-2-yl)-7-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71624128
N-(1,3-benzothiazol-2-yl)-7-(3,4-dimethoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71624129
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71624255
N-(6-chloro-1,3-benzothiazol-2-yl)-7-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71625679
N-(6-chloro-1,3-benzothiazol-2-yl)-7-(3,4-dimethoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71625680
7-(3,4-dimethoxyphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71625794
N-(6-methoxy-1,3-benzothiazol-2-yl)-7-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71625910
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71625912
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-7-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71624132
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 71625791

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 71624254) is 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3nc4cc(C)c(C)cc4s3)nc3cc(-c4ccccc4)nn23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is PPZRBUFAFCDHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O3S/c1-17-12-22-27(13-18(17)2)39-30(32-22)33-29(36)23-15-24(20-10-11-25(37-3)26(14-20)38-4)35-28(31-23)16-21(34-35)19-8-6-5-7-9-19/h5-16H,1-4H3,(H,32,33,36).
What are the key properties of 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 535.63 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 71624254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).