2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide

C20H19N5O3S — CID 18204947

IUPAC2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cnc4c(c3)c(C)nn4C)cs2)cc1OC
InChIInChI=1S/C20H19N5O3S/c1-11-14-8-13(9-21-18(14)25(2)24-11)22-19(26)15-10-29-20(23-15)12-5-6-16(27-3)17(7-12)28-4/h5-10H,1-4H3,(H,22,26)
InChIKeyDIEHJKZNPROKTR-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.67
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 18204947) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID18204947
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cnc4c(c3)c(C)nn4C)cs2)cc1OC
InChIInChI=1S/C20H19N5O3S/c1-11-14-8-13(9-21-18(14)25(2)24-11)22-19(26)15-10-29-20(23-15)12-5-6-16(27-3)17(7-12)28-4/h5-10H,1-4H3,(H,22,26)
InChIKeyDIEHJKZNPROKTR-UHFFFAOYSA-N
XLogP3.67
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-thiazole-4-carboxamide
CID 34429840
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55775470
2-(3,4-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 9180409
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
2-(3,4-dimethoxyphenyl)-N-(3-methylpyridazin-4-yl)-1,3-thiazole-4-carboxamide
CID 166210953
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2,4-dimethoxybenzamide
CID 46538295
2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166273173
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
N-(3-carbamoyl-4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46423829
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31520021

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide (CID 18204947) is 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cnc4c(c3)c(C)nn4C)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DIEHJKZNPROKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-11-14-8-13(9-21-18(14)25(2)24-11)22-19(26)15-10-29-20(23-15)12-5-6-16(27-3)17(7-12)28-4/h5-10H,1-4H3,(H,22,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18204947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).