1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

C21H26N8O — CID 138522157

About 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138522157) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
• PubChem CID: 138522157
• Molecular Formula: C21H26N8O
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.22
• IUPAC Name: 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
• SMILES: CCOc1ncccc1-c1cc(NCc2ncn[nH]2)c2c(n1)c(C)nn2[C@H](C)CC
• InChI: InChI=1S/C21H26N8O/c1-5-13(3)29-20-17(23-11-18-24-12-25-27-18)10-16(26-19(20)14(4)28-29)15-8-7-9-22-21(15)30-6-2/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,26)(H,24,25,27)/t13-/m1/s1
• InChIKey: NVHXYCYDLGRUMP-CYBMUJFWSA-N
• XLogP: 3.90
• TPSA: 106.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?

The IUPAC name of 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (CID 138522157) is 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?

The canonical SMILES for 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2ncn[nH]2)c2c(n1)c(C)nn2[C@H](C)CC.

What is the InChIKey of 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?

The InChIKey is NVHXYCYDLGRUMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26N8O/c1-5-13(3)29-20-17(23-11-18-24-12-25-27-18)10-16(26-19(20)14(4)28-29)15-8-7-9-22-21(15)30-6-2/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,26)(H,24,25,27)/t13-/m1/s1.

What are the key properties of 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?

1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 406.49 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138522157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).