N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide

C29H26N4O3 — CID 50799254

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2cc(C)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C29H26N4O3/c1-20-17-26(36-19-25(34)30-18-21-13-15-24(35-2)16-14-21)31-29-27(20)28(22-9-5-3-6-10-22)32-33(29)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3,(H,30,34)
InChIKeyWWEGNEHGEXUTHT-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.10
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide

N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide (PubChem CID 50799254) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
PubChem CID50799254
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2cc(C)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C29H26N4O3/c1-20-17-26(36-19-25(34)30-18-21-13-15-24(35-2)16-14-21)31-29-27(20)28(22-9-5-3-6-10-22)32-33(29)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3,(H,30,34)
InChIKeyWWEGNEHGEXUTHT-UHFFFAOYSA-N
XLogP5.10
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799160
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-[(2-methylphenyl)methyl]acetamide
CID 50799140
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-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 50791329
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-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 56782708
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079007
(2R)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079008
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide (CID 50799254) is N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide is COc1ccc(CNC(=O)COc2cc(C)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide?
The InChIKey is WWEGNEHGEXUTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-20-17-26(36-19-25(34)30-18-21-13-15-24(35-2)16-14-21)31-29-27(20)28(22-9-5-3-6-10-22)32-33(29)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3,(H,30,34).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide?
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide has a molecular weight of 478.55 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide is sourced from PubChem (CID 50799254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).