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

C29H25ClN4O2 — CID 50790085

IUPACN-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1cccc(-c2nn(-c3ccccc3)c3nc(OCC(=O)Nc4cccc(Cl)c4C)cc(C)c23)c1
InChIInChI=1S/C29H25ClN4O2/c1-18-9-7-10-21(15-18)28-27-19(2)16-26(32-29(27)34(33-28)22-11-5-4-6-12-22)36-17-25(35)31-24-14-8-13-23(30)20(24)3/h4-16H,17H2,1-3H3,(H,31,35)
InChIKeyZGFBROSPWNEHBP-UHFFFAOYSA-N
MW497.00 g/mol
LogP6.68
Rot. Bonds6

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

N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 50790085) has the molecular formula C29H25ClN4O2 and a molecular weight of 497.00 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID50790085
Molecular FormulaC29H25ClN4O2
Molecular Weight497.00 g/mol
Exact Mass496.17
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1cccc(-c2nn(-c3ccccc3)c3nc(OCC(=O)Nc4cccc(Cl)c4C)cc(C)c23)c1
InChIInChI=1S/C29H25ClN4O2/c1-18-9-7-10-21(15-18)28-27-19(2)16-26(32-29(27)34(33-28)22-11-5-4-6-12-22)36-17-25(35)31-24-14-8-13-23(30)20(24)3/h4-16H,17H2,1-3H3,(H,31,35)
InChIKeyZGFBROSPWNEHBP-UHFFFAOYSA-N
XLogP6.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.00
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790091
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799072
N-benzyl-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799160
2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(2-methylphenyl)methyl]acetamide
CID 50799140
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-(2-ethoxyphenyl)acetamide
CID 50799165
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-1-(4-methylpiperazin-1-yl)ethanone
CID 50799159
N-(2-chlorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791456
N-(4-fluoro-2-methylphenyl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791258
2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
CID 50791645
N-(2-chlorophenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50791355

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 50790085) is N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is Cc1cccc(-c2nn(-c3ccccc3)c3nc(OCC(=O)Nc4cccc(Cl)c4C)cc(C)c23)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is ZGFBROSPWNEHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O2/c1-18-9-7-10-21(15-18)28-27-19(2)16-26(32-29(27)34(33-28)22-11-5-4-6-12-22)36-17-25(35)31-24-14-8-13-23(30)20(24)3/h4-16H,17H2,1-3H3,(H,31,35).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 497.00 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 50790085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).