6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

C24H32N6O — CID 90413063

About 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (PubChem CID 90413063) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
• PubChem CID: 90413063
• Molecular Formula: C24H32N6O
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.26
• IUPAC Name: 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
• SMILES: CN1CCC(c2cc3c(-c4cccc(NCCN5CCOCC5)n4)ccnc3[nH]2)CC1
• InChI: InChI=1S/C24H32N6O/c1-29-10-6-18(7-11-29)22-17-20-19(5-8-26-24(20)28-22)21-3-2-4-23(27-21)25-9-12-30-13-15-31-16-14-30/h2-5,8,17-18H,6-7,9-16H2,1H3,(H,25,27)(H,26,28)
• InChIKey: WPEMVTWLJQSTIG-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 69.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?

The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (CID 90413063) is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.

What is the SMILES notation for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?

The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is CN1CCC(c2cc3c(-c4cccc(NCCN5CCOCC5)n4)ccnc3[nH]2)CC1.

What is the InChIKey of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?

The InChIKey is WPEMVTWLJQSTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-29-10-6-18(7-11-29)22-17-20-19(5-8-26-24(20)28-22)21-3-2-4-23(27-21)25-9-12-30-13-15-31-16-14-30/h2-5,8,17-18H,6-7,9-16H2,1H3,(H,25,27)(H,26,28).

What are the key properties of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?

6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 420.56 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 90413063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).