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

C21H16Cl2N4O — CID 7626738

IUPAC4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N4O/c1-12-8-9-14(10-17(12)22)25-21(28)16-11-24-20-18(19(16)23)13(2)26-27(20)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,25,28)
InChIKeyUJWGNTXNGSHBHQ-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.60
Rot. Bonds3

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

4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7626738) has the molecular formula C21H16Cl2N4O and a molecular weight of 411.29 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7626738
Molecular FormulaC21H16Cl2N4O
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC Name4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N4O/c1-12-8-9-14(10-17(12)22)25-21(28)16-11-24-20-18(19(16)23)13(2)26-27(20)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,25,28)
InChIKeyUJWGNTXNGSHBHQ-UHFFFAOYSA-N
XLogP5.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
4-chloro-3-methyl-N-(4-nitrophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626693
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627274
4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423439
4-chloro-3-methyl-N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627315
4-chloro-3-methyl-1-phenyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43996622
N-[(2R)-butan-2-yl]-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626608
4-chloro-3-methyl-N-(2-nitrophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626691
4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
4-chloro-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626634
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457031

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 7626738) is 4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is UJWGNTXNGSHBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O/c1-12-8-9-14(10-17(12)22)25-21(28)16-11-24-20-18(19(16)23)13(2)26-27(20)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,25,28).
What are the key properties of 4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 411.29 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7626738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).