4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C22H26N8 — CID 25165174

About 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 25165174) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
• PubChem CID: 25165174
• Molecular Formula: C22H26N8
• Molecular Weight: 402.51 g/mol
• Exact Mass: 402.23
• IUPAC Name: 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
• SMILES: CCc1cc(-c2c[nH]c3ncc(-c4cnn(C5CCN(C)CC5)c4)cc23)nc(N)n1
• InChI: InChI=1S/C22H26N8/c1-3-16-9-20(28-22(23)27-16)19-12-25-21-18(19)8-14(10-24-21)15-11-26-30(13-15)17-4-6-29(2)7-5-17/h8-13,17H,3-7H2,1-2H3,(H,24,25)(H2,23,27,28)
• InChIKey: IPAWFNRWGZPHID-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 101.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.51
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

The IUPAC name of 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 25165174) is 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

The canonical SMILES for 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is CCc1cc(-c2c[nH]c3ncc(-c4cnn(C5CCN(C)CC5)c4)cc23)nc(N)n1.

What is the InChIKey of 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

The InChIKey is IPAWFNRWGZPHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8/c1-3-16-9-20(28-22(23)27-16)19-12-25-21-18(19)8-14(10-24-21)15-11-26-30(13-15)17-4-6-29(2)7-5-17/h8-13,17H,3-7H2,1-2H3,(H,24,25)(H2,23,27,28).

What are the key properties of 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 402.51 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 25165174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).