4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C23H23ClN6O — CID 122458532

IUPAC4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)ncn1
InChIInChI=1S/C23H23ClN6O/c1-13(2)16-5-7-17(8-6-16)28-23(31)19-10-25-22-20(21(19)24)15(4)29-30(22)11-18-9-14(3)26-12-27-18/h5-10,12-13H,11H2,1-4H3,(H,28,31)
InChIKeyBYRXXZPAMHDICB-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.92
Rot. Bonds5

About 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122458532) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122458532
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)ncn1
InChIInChI=1S/C23H23ClN6O/c1-13(2)16-5-7-17(8-6-16)28-23(31)19-10-25-22-20(21(19)24)15(4)29-30(22)11-18-9-14(3)26-12-27-18/h5-10,12-13H,11H2,1-4H3,(H,28,31)
InChIKeyBYRXXZPAMHDICB-UHFFFAOYSA-N
XLogP4.92
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[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-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 122458532) is 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(C)C)cc4)cnc32)ncn1.
What is the InChIKey of 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BYRXXZPAMHDICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-13(2)16-5-7-17(8-6-16)28-23(31)19-10-25-22-20(21(19)24)15(4)29-30(22)11-18-9-14(3)26-12-27-18/h5-10,12-13H,11H2,1-4H3,(H,28,31).
What are the key properties of 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122458532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).