1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H33N5O — CID 119536214

About 1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119536214) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 119536214
• Molecular Formula: C21H33N5O
• Molecular Weight: 371.53 g/mol
• Exact Mass: 371.27
• IUPAC Name: 1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCC3CCNC3)c12
• InChI: InChI=1S/C21H33N5O/c1-13(2)17-11-16(20(27)23-10-8-15-7-9-22-12-15)18-14(3)25-26(19(18)24-17)21(4,5)6/h11,13,15,22H,7-10,12H2,1-6H3,(H,23,27)
• InChIKey: ZORXMVGDFFITOY-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.53
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 119536214) is 1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCC3CCNC3)c12.

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

The InChIKey is ZORXMVGDFFITOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-13(2)17-11-16(20(27)23-10-8-15-7-9-22-12-15)18-14(3)25-26(19(18)24-17)21(4,5)6/h11,13,15,22H,7-10,12H2,1-6H3,(H,23,27).

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

1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.35, 5 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-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119536214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).