2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide

C24H24F3N5O3 — CID 42818706

About 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide

2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 42818706) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide
• PubChem CID: 42818706
• Molecular Formula: C24H24F3N5O3
• Molecular Weight: 487.48 g/mol
• Exact Mass: 487.18
• IUPAC Name: 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide
• SMILES: CCN1C(=O)NC(c2ccccc2C(F)(F)F)C2=C1CN(C(C)C(=O)NCc1ccccn1)C2=O
• InChI: InChI=1S/C24H24F3N5O3/c1-3-31-18-13-32(14(2)21(33)29-12-15-8-6-7-11-28-15)22(34)19(18)20(30-23(31)35)16-9-4-5-10-17(16)24(25,26)27/h4-11,14,20H,3,12-13H2,1-2H3,(H,29,33)(H,30,35)
• InChIKey: SWTIEHZXFVMMEY-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.48
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide?

The IUPAC name of 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 42818706) is 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide.

What is the SMILES notation for 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide?

The canonical SMILES for 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide is CCN1C(=O)NC(c2ccccc2C(F)(F)F)C2=C1CN(C(C)C(=O)NCc1ccccn1)C2=O.

What is the InChIKey of 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide?

The InChIKey is SWTIEHZXFVMMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-3-31-18-13-32(14(2)21(33)29-12-15-8-6-7-11-28-15)22(34)19(18)20(30-23(31)35)16-9-4-5-10-17(16)24(25,26)27/h4-11,14,20H,3,12-13H2,1-2H3,(H,29,33)(H,30,35).

What are the key properties of 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide?

2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 487.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 42818706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).