1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H24N6O3 — CID 51949345

About 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51949345) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 51949345
• Molecular Formula: C22H24N6O3
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.19
• IUPAC Name: 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)c12
• InChI: InChI=1S/C22H24N6O3/c1-11(2)16-10-15(17-12(3)27-28(5)18(17)24-16)19(29)23-14-8-6-7-13(9-14)22(4)20(30)25-21(31)26-22/h6-11H,1-5H3,(H,23,29)(H2,25,26,30,31)/t22-/m1/s1
• InChIKey: HYFXYSCRGKOLDU-JOCHJYFZSA-N
• XLogP: 2.71
• TPSA: 118.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 51949345) is 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)c12.

What is the InChIKey of 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is HYFXYSCRGKOLDU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-11(2)16-10-15(17-12(3)27-28(5)18(17)24-16)19(29)23-14-8-6-7-13(9-14)22(4)20(30)25-21(31)26-22/h6-11H,1-5H3,(H,23,29)(H2,25,26,30,31)/t22-/m1/s1.

What are the key properties of 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51949345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).