1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H30N6O2 — CID 55758419

About 1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55758419) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55758419
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: 1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCNC4=O)cc3)c12
• InChI: InChI=1S/C24H30N6O2/c1-14(2)19-13-18(20-15(3)28-30(21(20)27-19)24(4,5)6)22(31)26-16-7-9-17(10-8-16)29-12-11-25-23(29)32/h7-10,13-14H,11-12H2,1-6H3,(H,25,32)(H,26,31)
• InChIKey: SGPMWNGEFSABCJ-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55758419) is 1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCNC4=O)cc3)c12.

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

The InChIKey is SGPMWNGEFSABCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-14(2)19-13-18(20-15(3)28-30(21(20)27-19)24(4,5)6)22(31)26-16-7-9-17(10-8-16)29-12-11-25-23(29)32/h7-10,13-14H,11-12H2,1-6H3,(H,25,32)(H,26,31).

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

1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55758419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).