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

C19H17N5O — CID 56887832

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

[2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol (PubChem CID 56887832) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is [2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol.

Molecular Properties

• Compound Name: [2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol
• PubChem CID: 56887832
• Molecular Formula: C19H17N5O
• Molecular Weight: 331.38 g/mol
• Exact Mass: 331.14
• IUPAC Name: [2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol
• SMILES: OCc1ccnc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c1
• InChI: InChI=1S/C19H17N5O/c25-12-13-3-6-21-17(8-13)16-9-18(24-19-15(16)4-7-22-19)23-11-14-2-1-5-20-10-14/h1-10,25H,11-12H2,(H2,22,23,24)
• InChIKey: TXAXTXXGBMKSOU-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 86.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.38
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol (CID 56887832) is [2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol.

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

The canonical SMILES for [2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol is OCc1ccnc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c1.

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

The InChIKey is TXAXTXXGBMKSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-12-13-3-6-21-17(8-13)16-9-18(24-19-15(16)4-7-22-19)23-11-14-2-1-5-20-10-14/h1-10,25H,11-12H2,(H2,22,23,24).

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

[2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol has a molecular weight of 331.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 56887832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).