4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C27H24ClN5O2 — CID 46884031

About 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46884031) has the molecular formula C27H24ClN5O2 and a molecular weight of 485.98 g/mol. Its IUPAC name is 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 46884031
• Molecular Formula: C27H24ClN5O2
• Molecular Weight: 485.98 g/mol
• Exact Mass: 485.16
• IUPAC Name: 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1ccccc1-n1nc(C)c2c(Cl)c(C(=O)NCc3ccc(-c4c(C)noc4C)cc3)cnc21
• InChI: InChI=1S/C27H24ClN5O2/c1-15-7-5-6-8-22(15)33-26-24(16(2)31-33)25(28)21(14-29-26)27(34)30-13-19-9-11-20(12-10-19)23-17(3)32-35-18(23)4/h5-12,14H,13H2,1-4H3,(H,30,34)
• InChIKey: SRTNFPWGHVHHDI-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.98
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 46884031) is 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccccc1-n1nc(C)c2c(Cl)c(C(=O)NCc3ccc(-c4c(C)noc4C)cc3)cnc21.

What is the InChIKey of 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is SRTNFPWGHVHHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O2/c1-15-7-5-6-8-22(15)33-26-24(16(2)31-33)25(28)21(14-29-26)27(34)30-13-19-9-11-20(12-10-19)23-17(3)32-35-18(23)4/h5-12,14H,13H2,1-4H3,(H,30,34).

What are the key properties of 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 485.98 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46884031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).