5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine

C23H23ClN6 — CID 86294331

About 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine

5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 86294331) has the molecular formula C23H23ClN6 and a molecular weight of 418.93 g/mol. Its IUPAC name is 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
• PubChem CID: 86294331
• Molecular Formula: C23H23ClN6
• Molecular Weight: 418.93 g/mol
• Exact Mass: 418.17
• IUPAC Name: 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
• SMILES: Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12
• InChI: InChI=1S/C23H23ClN6/c24-19-3-4-21(28-14-15-2-1-8-26-13-15)30-22(19)17-7-11-27-23-18(17)12-20(29-23)16-5-9-25-10-6-16/h1-4,7-8,11-13,16,25H,5-6,9-10,14H2,(H,27,29)(H,28,30)
• InChIKey: NQQAYRCHKYZLLS-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 78.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.93
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?

The IUPAC name of 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 86294331) is 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.

What is the SMILES notation for 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?

The canonical SMILES for 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12.

What is the InChIKey of 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?

The InChIKey is NQQAYRCHKYZLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6/c24-19-3-4-21(28-14-15-2-1-8-26-13-15)30-22(19)17-7-11-27-23-18(17)12-20(29-23)16-5-9-25-10-6-16/h1-4,7-8,11-13,16,25H,5-6,9-10,14H2,(H,27,29)(H,28,30).

What are the key properties of 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?

5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 418.93 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 86294331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).