2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide

C22H19ClN4O2 — CID 138623794

IUPAC2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide
SMILESNC(=O)COCc1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O2/c23-18-8-6-15(7-9-18)12-27-22-19(11-25-27)17(13-29-14-21(24)28)10-20(26-22)16-4-2-1-3-5-16/h1-11H,12-14H2,(H2,24,28)
InChIKeyFFIPWCKXVYNAQC-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.80
Rot. Bonds7

About 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide

2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide (PubChem CID 138623794) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide.

Molecular Properties

Compound Name2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide
PubChem CID138623794
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide
SMILESNC(=O)COCc1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O2/c23-18-8-6-15(7-9-18)12-27-22-19(11-25-27)17(13-29-14-21(24)28)10-20(26-22)16-4-2-1-3-5-16/h1-11H,12-14H2,(H2,24,28)
InChIKeyFFIPWCKXVYNAQC-UHFFFAOYSA-N
XLogP3.80
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide?
The IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide (CID 138623794) is 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide.
What is the SMILES notation for 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide?
The canonical SMILES for 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide is NC(=O)COCc1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide?
The InChIKey is FFIPWCKXVYNAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-18-8-6-15(7-9-18)12-27-22-19(11-25-27)17(13-29-14-21(24)28)10-20(26-22)16-4-2-1-3-5-16/h1-11H,12-14H2,(H2,24,28).
What are the key properties of 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide?
2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide has a molecular weight of 406.87 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]methoxy]acetamide is sourced from PubChem (CID 138623794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).