4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H19Cl2N5O — CID 122457943

IUPAC4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(C)nc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)c1
InChIInChI=1S/C22H19Cl2N5O/c1-12-8-13(2)26-17(9-12)11-29-21-19(14(3)28-29)20(24)18(10-25-21)22(30)27-16-6-4-15(23)5-7-16/h4-10H,11H2,1-3H3,(H,27,30)
InChIKeyUHZXIGLCGMMATL-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.36
Rot. Bonds4

About 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122457943) has the molecular formula C22H19Cl2N5O and a molecular weight of 440.33 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122457943
Molecular FormulaC22H19Cl2N5O
Molecular Weight440.33 g/mol
Exact Mass439.10
IUPAC Name4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(C)nc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)c1
InChIInChI=1S/C22H19Cl2N5O/c1-12-8-13(2)26-17(9-12)11-29-21-19(14(3)28-29)20(24)18(10-25-21)22(30)27-16-6-4-15(23)5-7-16/h4-10H,11H2,1-3H3,(H,27,30)
InChIKeyUHZXIGLCGMMATL-UHFFFAOYSA-N
XLogP5.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 122457943) is 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cc(C)nc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)c1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is UHZXIGLCGMMATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O/c1-12-8-13(2)26-17(9-12)11-29-21-19(14(3)28-29)20(24)18(10-25-21)22(30)27-16-6-4-15(23)5-7-16/h4-10H,11H2,1-3H3,(H,27,30).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 440.33 g/mol, XLogP of 5.36, 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-chlorophenyl)-1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122457943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).