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

C22H27N5O — CID 55818624

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

1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55818624) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55818624
• Molecular Formula: C22H27N5O
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.22
• IUPAC Name: 1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCc3cccnc3)c12
• InChI: InChI=1S/C22H27N5O/c1-14-19-17(21(28)24-11-9-15-6-5-10-23-13-15)12-18(16-7-8-16)25-20(19)27(26-14)22(2,3)4/h5-6,10,12-13,16H,7-9,11H2,1-4H3,(H,24,28)
• InChIKey: ATUUHYGNRKJCGY-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55818624) is 1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCc3cccnc3)c12.

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

The InChIKey is ATUUHYGNRKJCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-19-17(21(28)24-11-9-15-6-5-10-23-13-15)12-18(16-7-8-16)25-20(19)27(26-14)22(2,3)4/h5-6,10,12-13,16H,7-9,11H2,1-4H3,(H,24,28).

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

1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55818624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).