(1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol

C20H19N5O — CID 95721717

About (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol

(1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol (PubChem CID 95721717) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol.

Molecular Properties

• Compound Name: (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol
• PubChem CID: 95721717
• Molecular Formula: C20H19N5O
• Molecular Weight: 345.41 g/mol
• Exact Mass: 345.16
• IUPAC Name: (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol
• SMILES: C[C@@H](O)c1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)n1
• InChI: InChI=1S/C20H19N5O/c1-13(26)17-5-2-6-18(24-17)16-10-19(25-20-15(16)7-9-22-20)23-12-14-4-3-8-21-11-14/h2-11,13,26H,12H2,1H3,(H2,22,23,25)/t13-/m1/s1
• InChIKey: KHKVOMHNJMHOPE-CYBMUJFWSA-N
• XLogP: 3.69
• TPSA: 86.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.41
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol?

The IUPAC name of (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol (CID 95721717) is (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol.

What is the SMILES notation for (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol?

The canonical SMILES for (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol is C[C@@H](O)c1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)n1.

What is the InChIKey of (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol?

The InChIKey is KHKVOMHNJMHOPE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13(26)17-5-2-6-18(24-17)16-10-19(25-20-15(16)7-9-22-20)23-12-14-4-3-8-21-11-14/h2-11,13,26H,12H2,1H3,(H2,22,23,25)/t13-/m1/s1.

What are the key properties of (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol?

(1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol has a molecular weight of 345.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 95721717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).