3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide

C27H26N6O3 — CID 46637263

IUPAC3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC
InChIInChI=1S/C27H26N6O3/c1-17(2)33-26-19(14-29-33)12-20(15-28-26)30-27(34)22-16-32(21-8-6-5-7-9-21)31-25(22)18-10-11-23(35-3)24(13-18)36-4/h5-17H,1-4H3,(H,30,34)
InChIKeyWMGWIHVGPDWYLU-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.13
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide

3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide (PubChem CID 46637263) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide
PubChem CID46637263
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Name3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC
InChIInChI=1S/C27H26N6O3/c1-17(2)33-26-19(14-29-33)12-20(15-28-26)30-27(34)22-16-32(21-8-6-5-7-9-21)31-25(22)18-10-11-23(35-3)24(13-18)36-4/h5-17H,1-4H3,(H,30,34)
InChIKeyWMGWIHVGPDWYLU-UHFFFAOYSA-N
XLogP5.13
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
CID 55725584
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 27335088
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 43016709
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
3-(3,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26715981
3-(3,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 26121098
(E)-3-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 26956071
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
3-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 16613798
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 26956282

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide (CID 46637263) is 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide?
The InChIKey is WMGWIHVGPDWYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-17(2)33-26-19(14-29-33)12-20(15-28-26)30-27(34)22-16-32(21-8-6-5-7-9-21)31-25(22)18-10-11-23(35-3)24(13-18)36-4/h5-17H,1-4H3,(H,30,34).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide?
3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 46637263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).