7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C20H17FN8 — CID 134530180

About 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134530180) has the molecular formula C20H17FN8 and a molecular weight of 388.41 g/mol. Its IUPAC name is 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 134530180
• Molecular Formula: C20H17FN8
• Molecular Weight: 388.41 g/mol
• Exact Mass: 388.16
• IUPAC Name: 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC(c1cnc(-c2ccccc2F)[nH]1)n1cc(-c2ccn[nH]2)c2c(N)ncnc21
• InChI: InChI=1S/C20H17FN8/c1-11(16-8-23-19(27-16)12-4-2-3-5-14(12)21)29-9-13(15-6-7-26-28-15)17-18(22)24-10-25-20(17)29/h2-11H,1H3,(H,23,27)(H,26,28)(H2,22,24,25)
• InChIKey: RGMOBLDJJUNMLQ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 114.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.41
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 134530180) is 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CC(c1cnc(-c2ccccc2F)[nH]1)n1cc(-c2ccn[nH]2)c2c(N)ncnc21.

What is the InChIKey of 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is RGMOBLDJJUNMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8/c1-11(16-8-23-19(27-16)12-4-2-3-5-14(12)21)29-9-13(15-6-7-26-28-15)17-18(22)24-10-25-20(17)29/h2-11H,1H3,(H,23,27)(H,26,28)(H2,22,24,25).

What are the key properties of 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?

7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 388.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134530180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).