2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide

C29H26N4O2 — CID 50799140

IUPAC2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)COc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C29H26N4O2/c1-20-11-9-10-14-23(20)18-30-25(34)19-35-26-17-21(2)27-28(22-12-5-3-6-13-22)32-33(29(27)31-26)24-15-7-4-8-16-24/h3-17H,18-19H2,1-2H3,(H,30,34)
InChIKeyDWFBDMPXEYDQNV-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.40
Rot. Bonds7

About 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide

2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 50799140) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide
PubChem CID50799140
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC Name2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)COc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C29H26N4O2/c1-20-11-9-10-14-23(20)18-30-25(34)19-35-26-17-21(2)27-28(22-12-5-3-6-13-22)32-33(29(27)31-26)24-15-7-4-8-16-24/h3-17H,18-19H2,1-2H3,(H,30,34)
InChIKeyDWFBDMPXEYDQNV-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
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799072
N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790091
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
N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790085
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165
2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791670
N-[(2-methylphenyl)methyl]-2-[3-(1,2,4-triazol-1-yl)phenoxy]acetamide
CID 71986345
(2R)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079008

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide (CID 50799140) is 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)COc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is DWFBDMPXEYDQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-20-11-9-10-14-23(20)18-30-25(34)19-35-26-17-21(2)27-28(22-12-5-3-6-13-22)32-33(29(27)31-26)24-15-7-4-8-16-24/h3-17H,18-19H2,1-2H3,(H,30,34).
What are the key properties of 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide?
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide 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 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 50799140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).