methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate

C30H23N3O3S — CID 149298104

IUPACmethyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate
SMILESCOC(=O)Cc1nc2ccc(C3=C(C)Cc4c(-c5ccccc5)c(-c5ccccc5)nn4C3=O)cc2s1
InChIInChI=1S/C30H23N3O3S/c1-18-15-23-28(19-9-5-3-6-10-19)29(20-11-7-4-8-12-20)32-33(23)30(35)27(18)21-13-14-22-24(16-21)37-25(31-22)17-26(34)36-2/h3-14,16H,15,17H2,1-2H3
InChIKeyXWEWHHSVUUCRQJ-UHFFFAOYSA-N
MW505.60 g/mol
LogP6.21
Rot. Bonds5

About methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate

methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate (PubChem CID 149298104) has the molecular formula C30H23N3O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate
PubChem CID149298104
Molecular FormulaC30H23N3O3S
Molecular Weight505.60 g/mol
Exact Mass505.15
IUPAC Namemethyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate
SMILESCOC(=O)Cc1nc2ccc(C3=C(C)Cc4c(-c5ccccc5)c(-c5ccccc5)nn4C3=O)cc2s1
InChIInChI=1S/C30H23N3O3S/c1-18-15-23-28(19-9-5-3-6-10-19)29(20-11-7-4-8-12-20)32-33(23)30(35)27(18)21-13-14-22-24(16-21)37-25(31-22)17-26(34)36-2/h3-14,16H,15,17H2,1-2H3
InChIKeyXWEWHHSVUUCRQJ-UHFFFAOYSA-N
XLogP6.21
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.60
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate with MolForge

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Related Compounds

6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158304173
6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147939125
2-(6-methoxy-3-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158391528
2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147365910
3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 152870167
5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 153189042
3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147516700
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158881235
2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide
CID 58470188
N-(3-methoxy-2-oxopropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470073
(4-methoxycarbonylcyclohexyl)methyl-[2-(6-phenyl-1,3-benzothiazol-2-yl)acetyl]azanium
CID 163575644
1-(1,3-dihydroisoindol-2-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)ethanone
CID 58470633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate?
The IUPAC name of methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate (CID 149298104) is methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate?
The canonical SMILES for methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate is COC(=O)Cc1nc2ccc(C3=C(C)Cc4c(-c5ccccc5)c(-c5ccccc5)nn4C3=O)cc2s1.
What is the InChIKey of methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate?
The InChIKey is XWEWHHSVUUCRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O3S/c1-18-15-23-28(19-9-5-3-6-10-19)29(20-11-7-4-8-12-20)32-33(23)30(35)27(18)21-13-14-22-24(16-21)37-25(31-22)17-26(34)36-2/h3-14,16H,15,17H2,1-2H3.
What are the key properties of methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate?
methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate has a molecular weight of 505.60 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate is sourced from PubChem (CID 149298104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).