3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine

C23H25N5O — CID 99784717

About 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine

3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine (PubChem CID 99784717) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine
• PubChem CID: 99784717
• Molecular Formula: C23H25N5O
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.21
• IUPAC Name: 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine
• SMILES: CC(C)n1ncc2cc(CNc3ncccc3O[C@H](C)c3ccccc3)cnc21
• InChI: InChI=1S/C23H25N5O/c1-16(2)28-23-20(15-27-28)12-18(14-26-23)13-25-22-21(10-7-11-24-22)29-17(3)19-8-5-4-6-9-19/h4-12,14-17H,13H2,1-3H3,(H,24,25)/t17-/m1/s1
• InChIKey: ADBDINMFKNMTOM-QGZVFWFLSA-N
• XLogP: 5.16
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine?

The IUPAC name of 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine (CID 99784717) is 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine.

What is the SMILES notation for 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine?

The canonical SMILES for 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine is CC(C)n1ncc2cc(CNc3ncccc3O[C@H](C)c3ccccc3)cnc21.

What is the InChIKey of 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine?

The InChIKey is ADBDINMFKNMTOM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16(2)28-23-20(15-27-28)12-18(14-26-23)13-25-22-21(10-7-11-24-22)29-17(3)19-8-5-4-6-9-19/h4-12,14-17H,13H2,1-3H3,(H,24,25)/t17-/m1/s1.

What are the key properties of 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine?

3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine has a molecular weight of 387.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 99784717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).