2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide

C22H19ClN4O2 — CID 108753809

IUPAC2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)ccc1Cl
InChIInChI=1S/C22H19ClN4O2/c1-14-10-18(8-9-20(14)23)29-13-21(28)25-16-11-19-15(2)26-27(22(19)24-12-16)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyHNSOVZMCOZAMRS-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.71
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide (PubChem CID 108753809) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide
PubChem CID108753809
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)ccc1Cl
InChIInChI=1S/C22H19ClN4O2/c1-14-10-18(8-9-20(14)23)29-13-21(28)25-16-11-19-15(2)26-27(22(19)24-12-16)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyHNSOVZMCOZAMRS-UHFFFAOYSA-N
XLogP4.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Chloro-5-{[4-Methyl-2-Oxo-1-(2h-Pyrazolo[3,4-B]pyridin-3-Ylmethyl)-1,2-Dihydropyridin-3-Yl]oxy}benzonitrile
CID 42644635
3-chloro-5-[[4-chloro-2-oxo-1-(1H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3-pyridyl]oxy]benzonitrile
CID 42645111
3-Chloro-5-{[4,5-dichloro-2-oxo-1-(1H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile
CID 42645114
3-Chloro-5-({4-methyl-2-oxo-1-[2-(1H-pyrazolo[3,4-b]pyridin-3-yl)ethyl]-1,2-dihydropyridin-3-yl}oxy)benzonitrile
CID 42644873
3-Chloro-5-{[2-oxo-1-(1H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile
CID 42644874
4-[3-(4-Chloro-phenoxy)-benzyl]-piperazine-1-carboxylic acid imidazo[1,2-b]pyridazin-3-ylamide
CID 46213948
N-[3-(5-chloro-2-propan-2-yloxyphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496662
1-[4-[5-[4-Amino-3-(2-chloro-5-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pentyl]piperazin-1-yl]prop-2-en-1-one
CID 166631370
2-(4-chlorophenoxy)-N-[(6-phenyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide
CID 1838684
N-[4-(4-chlorophenoxy)phenyl]-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 3786369
2-(4-chlorophenoxy)-2-methyl-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)propanamide
CID 6622674
2-(4-chlorophenoxy)-N-(3-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}phenyl)acetamide
CID 7217777

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide (CID 108753809) is 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide is Cc1cc(OCC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The InChIKey is HNSOVZMCOZAMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14-10-18(8-9-20(14)23)29-13-21(28)25-16-11-19-15(2)26-27(22(19)24-12-16)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 108753809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).