4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide

C28H28N6O3 — CID 137046294

IUPAC4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3n[nH]c(C=Cc4ccccc4)c23)CC1
InChIInChI=1S/C28H28N6O3/c1-32(2)28(37)34-16-14-33(15-17-34)27(36)22-18-24(20-9-11-21(35)12-10-20)29-26-25(22)23(30-31-26)13-8-19-6-4-3-5-7-19/h3-13,18,35H,14-17H2,1-2H3,(H,29,30,31)
InChIKeyXQHCJZIKZOLJQF-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.94
Rot. Bonds4

About 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide

4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 137046294) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID137046294
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3n[nH]c(C=Cc4ccccc4)c23)CC1
InChIInChI=1S/C28H28N6O3/c1-32(2)28(37)34-16-14-33(15-17-34)27(36)22-18-24(20-9-11-21(35)12-10-20)29-26-25(22)23(30-31-26)13-8-19-6-4-3-5-7-19/h3-13,18,35H,14-17H2,1-2H3,(H,29,30,31)
InChIKeyXQHCJZIKZOLJQF-UHFFFAOYSA-N
XLogP3.94
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid
CID 137071534
2-[4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 137159615
[3-[2-(4-fluorophenyl)ethenyl]-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
CID 137092113
[6-(4-hydroxyphenyl)-3-[2-(3-methylsulfonylphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
CID 137031822
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
CID 137161460
(4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone
CID 159548178
[6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 20939583
1-[4-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 159814676
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 136508146
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(2R,5S)-5-methyl-2-phenylpiperazin-1-yl]methanone
CID 136508011
(3-aminoazetidin-1-yl)-[3-ethyl-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508070
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 46653075

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (CID 137046294) is 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3n[nH]c(C=Cc4ccccc4)c23)CC1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is XQHCJZIKZOLJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-32(2)28(37)34-16-14-33(15-17-34)27(36)22-18-24(20-9-11-21(35)12-10-20)29-26-25(22)23(30-31-26)13-8-19-6-4-3-5-7-19/h3-13,18,35H,14-17H2,1-2H3,(H,29,30,31).
What are the key properties of 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 137046294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).