4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H17ClN4O2 — CID 7423441

IUPAC4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C21H17ClN4O2/c1-13-18-19(22)17(21(27)24-14-8-10-16(28-2)11-9-14)12-23-20(18)26(25-13)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,24,27)
InChIKeyXHXVHNCPAWDRAG-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.64
Rot. Bonds4

About 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7423441) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7423441
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C21H17ClN4O2/c1-13-18-19(22)17(21(27)24-14-8-10-16(28-2)11-9-14)12-23-20(18)26(25-13)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,24,27)
InChIKeyXHXVHNCPAWDRAG-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 7423441) is 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XHXVHNCPAWDRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-13-18-19(22)17(21(27)24-14-8-10-16(28-2)11-9-14)12-23-20(18)26(25-13)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,24,27).
What are the key properties of 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7423441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).