3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C14H9Cl3N4O — CID 122457407

IUPAC3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1nc(Cl)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21
InChIInChI=1S/C14H9Cl3N4O/c1-21-13-10(12(17)20-21)11(16)9(6-18-13)14(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22)
InChIKeyJKXUCMCIBCSCNV-UHFFFAOYSA-N
MW355.61 g/mol
LogP4.18
Rot. Bonds2

About 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122457407) has the molecular formula C14H9Cl3N4O and a molecular weight of 355.61 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122457407
Molecular FormulaC14H9Cl3N4O
Molecular Weight355.61 g/mol
Exact Mass353.98
IUPAC Name3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1nc(Cl)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21
InChIInChI=1S/C14H9Cl3N4O/c1-21-13-10(12(17)20-21)11(16)9(6-18-13)14(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22)
InChIKeyJKXUCMCIBCSCNV-UHFFFAOYSA-N
XLogP4.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253003
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide
CID 158933410
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457031
1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253068
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-(1,3-oxazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458533
4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 142159249
4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253007
4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 145130823
4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253280
1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 70807283

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 122457407) is 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is Cn1nc(Cl)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21.
What is the InChIKey of 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JKXUCMCIBCSCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N4O/c1-21-13-10(12(17)20-21)11(16)9(6-18-13)14(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22).
What are the key properties of 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 355.61 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122457407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).