N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

C29H26N4O2 — CID 50790091

IUPACN-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1cccc(-c2nn(-c3ccccc3)c3nc(OCC(=O)NCc4ccccc4)cc(C)c23)c1
InChIInChI=1S/C29H26N4O2/c1-20-10-9-13-23(16-20)28-27-21(2)17-26(31-29(27)33(32-28)24-14-7-4-8-15-24)35-19-25(34)30-18-22-11-5-3-6-12-22/h3-17H,18-19H2,1-2H3,(H,30,34)
InChIKeyHADXTISAPJLQIH-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.40
Rot. Bonds7

About N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 50790091) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID50790091
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC NameN-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1cccc(-c2nn(-c3ccccc3)c3nc(OCC(=O)NCc4ccccc4)cc(C)c23)c1
InChIInChI=1S/C29H26N4O2/c1-20-10-9-13-23(16-20)28-27-21(2)17-26(31-29(27)33(32-28)24-14-7-4-8-15-24)35-19-25(34)30-18-22-11-5-3-6-12-22/h3-17H,18-19H2,1-2H3,(H,30,34)
InChIKeyHADXTISAPJLQIH-UHFFFAOYSA-N
XLogP5.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799160
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799254
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide
CID 50799140
N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790085
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799072
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799206
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
CID 50799159
(2R)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079008
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079007
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791670
N-[2-(benzylamino)-2-oxoethyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55676140

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 50790091) is N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is Cc1cccc(-c2nn(-c3ccccc3)c3nc(OCC(=O)NCc4ccccc4)cc(C)c23)c1.
What is the InChIKey of N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is HADXTISAPJLQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-20-10-9-13-23(16-20)28-27-21(2)17-26(31-29(27)33(32-28)24-14-7-4-8-15-24)35-19-25(34)30-18-22-11-5-3-6-12-22/h3-17H,18-19H2,1-2H3,(H,30,34).
What are the key properties of N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 462.55 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 50790091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).