5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C24H23N7 — CID 137111535

About 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137111535) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 137111535
• Molecular Formula: C24H23N7
• Molecular Weight: 409.50 g/mol
• Exact Mass: 409.20
• IUPAC Name: 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)c1
• InChI: InChI=1S/C24H23N7/c25-17-10-16(13-26-14-17)15-4-5-20-18(11-15)23(30-29-20)21-12-19-22(6-7-27-24(19)28-21)31-8-2-1-3-9-31/h4-7,10-14H,1-3,8-9,25H2,(H,27,28)(H,29,30)
• InChIKey: OYGJHVHCFDSDHV-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 99.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.50
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137111535) is 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)c1.

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

The InChIKey is OYGJHVHCFDSDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c25-17-10-16(13-26-14-17)15-4-5-20-18(11-15)23(30-29-20)21-12-19-22(6-7-27-24(19)28-21)31-8-2-1-3-9-31/h4-7,10-14H,1-3,8-9,25H2,(H,27,28)(H,29,30).

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

5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 409.50 g/mol, XLogP of 4.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137111535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).