2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide

C25H25ClN4O2 — CID 50791645

IUPAC2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
SMILESCc1c(Cl)cccc1-n1nc(C)c2c(C)cc(OCC(=O)NCCc3ccccc3)nc21
InChIInChI=1S/C25H25ClN4O2/c1-16-14-23(32-15-22(31)27-13-12-19-8-5-4-6-9-19)28-25-24(16)18(3)29-30(25)21-11-7-10-20(26)17(21)2/h4-11,14H,12-13,15H2,1-3H3,(H,27,31)
InChIKeyHKSHJIKKBHOVAV-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.74
Rot. Bonds7

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

2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide (PubChem CID 50791645) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
PubChem CID50791645
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
SMILESCc1c(Cl)cccc1-n1nc(C)c2c(C)cc(OCC(=O)NCCc3ccccc3)nc21
InChIInChI=1S/C25H25ClN4O2/c1-16-14-23(32-15-22(31)27-13-12-19-8-5-4-6-9-19)28-25-24(16)18(3)29-30(25)21-11-7-10-20(26)17(21)2/h4-11,14H,12-13,15H2,1-3H3,(H,27,31)
InChIKeyHKSHJIKKBHOVAV-UHFFFAOYSA-N
XLogP4.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-fluorophenyl)methyl]acetamide
CID 50791664
1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine
CID 50757355
2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide
CID 50791460
2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791670
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
CID 50791241
N-benzyl-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799160
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
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-(2-ethoxyphenyl)acetamide
CID 50799165
N-benzyl-2-[4-methyl-3-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50790091
6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793866
N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791739

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide (CID 50791645) is 2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide is Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(OCC(=O)NCCc3ccccc3)nc21.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide?
The InChIKey is HKSHJIKKBHOVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-16-14-23(32-15-22(31)27-13-12-19-8-5-4-6-9-19)28-25-24(16)18(3)29-30(25)21-11-7-10-20(26)17(21)2/h4-11,14H,12-13,15H2,1-3H3,(H,27,31).
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide?
2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide has a molecular weight of 448.95 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 50791645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).