1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C22H19ClN4O — CID 135253078

IUPAC1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3ccccc3)c2Cl)cc1
InChIInChI=1S/C22H19ClN4O/c1-14-8-10-17(11-9-14)25-22(28)18-12-24-21-19(20(18)23)15(2)26-27(21)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyFQIRXSNGOWOXCU-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.00
Rot. Bonds4

About 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 135253078) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID135253078
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3ccccc3)c2Cl)cc1
InChIInChI=1S/C22H19ClN4O/c1-14-8-10-17(11-9-14)25-22(28)18-12-24-21-19(20(18)23)15(2)26-27(21)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyFQIRXSNGOWOXCU-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methyl-N-(4-methylphenyl)-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253264
4-chloro-3-methyl-N-(4-methylphenyl)-1-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253088
4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253280
4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253071
4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 145130823
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-pyrazol-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253194
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane
CID 145130695
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-oxazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458533
4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122442774
1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253068
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 135253078) is 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3ccccc3)c2Cl)cc1.
What is the InChIKey of 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is FQIRXSNGOWOXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-14-8-10-17(11-9-14)25-22(28)18-12-24-21-19(20(18)23)15(2)26-27(21)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135253078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).