N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H17ClN4O2 — CID 134800795

IUPACN-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3cnn(C)c3n2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-26-20-16(12-23-26)15(21(27)25-18-6-4-3-5-17(18)22)11-19(24-20)13-7-9-14(28-2)10-8-13/h3-12H,1-2H3,(H,25,27)
InChIKeyXEBSSMYYESPFAF-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.55
Rot. Bonds4

About N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134800795) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134800795
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3cnn(C)c3n2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-26-20-16(12-23-26)15(21(27)25-18-6-4-3-5-17(18)22)11-19(24-20)13-7-9-14(28-2)10-8-13/h3-12H,1-2H3,(H,25,27)
InChIKeyXEBSSMYYESPFAF-UHFFFAOYSA-N
XLogP4.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794177
6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802899
1-methyl-6-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822498
6-(4-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801357
N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803462
6-(4-methoxyphenyl)-1-methyl-N-pentylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800939
N-(2-ethoxyphenyl)-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822777
N-(2-fluorophenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801712
N-(3-fluorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802909
(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821362
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 44821575
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 44823378

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134800795) is N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3cnn(C)c3n2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XEBSSMYYESPFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-26-20-16(12-23-26)15(21(27)25-18-6-4-3-5-17(18)22)11-19(24-20)13-7-9-14(28-2)10-8-13/h3-12H,1-2H3,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134800795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).