(1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol

C23H24N4O — CID 95876913

About (1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol

(1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol (PubChem CID 95876913) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol.

Molecular Properties

• Compound Name: (1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol
• PubChem CID: 95876913
• Molecular Formula: C23H24N4O
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.20
• IUPAC Name: (1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol
• SMILES: CCC[C@@H](O)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1
• InChI: InChI=1S/C23H24N4O/c1-2-4-21(28)18-8-6-17(7-9-18)20-13-22(27-23-19(20)10-12-25-23)26-15-16-5-3-11-24-14-16/h3,5-14,21,28H,2,4,15H2,1H3,(H2,25,26,27)/t21-/m1/s1
• InChIKey: CNAFDMDVDSBZCC-OAQYLSRUSA-N
• XLogP: 5.07
• TPSA: 73.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol (CID 95876913) is (1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol.

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

The canonical SMILES for (1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol is CCC[C@@H](O)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1.

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

The InChIKey is CNAFDMDVDSBZCC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-4-21(28)18-8-6-17(7-9-18)20-13-22(27-23-19(20)10-12-25-23)26-15-16-5-3-11-24-14-16/h3,5-14,21,28H,2,4,15H2,1H3,(H2,25,26,27)/t21-/m1/s1.

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

(1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol has a molecular weight of 372.47 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol is sourced from PubChem (CID 95876913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).