6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

C18H16F6N6O2 — CID 118598770

About 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598770) has the molecular formula C18H16F6N6O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

• Compound Name: 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
• PubChem CID: 118598770
• Molecular Formula: C18H16F6N6O2
• Molecular Weight: 462.35 g/mol
• Exact Mass: 462.12
• IUPAC Name: 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
• SMILES: CC1(C(F)(F)F)NC(=O)c2ccc(Nc3cc(NC(C4CC4)C(F)(F)F)ncn3)c(=O)n21
• InChI: InChI=1S/C18H16F6N6O2/c1-16(18(22,23)24)29-14(31)10-5-4-9(15(32)30(10)16)27-11-6-12(26-7-25-11)28-13(8-2-3-8)17(19,20)21/h4-8,13H,2-3H2,1H3,(H,29,31)(H2,25,26,27,28)
• InChIKey: LYDHAWXHLGNAQE-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 100.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.35
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?

The IUPAC name of 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598770) is 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

What is the SMILES notation for 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?

The canonical SMILES for 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C(F)(F)F)NC(=O)c2ccc(Nc3cc(NC(C4CC4)C(F)(F)F)ncn3)c(=O)n21.

What is the InChIKey of 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?

The InChIKey is LYDHAWXHLGNAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N6O2/c1-16(18(22,23)24)29-14(31)10-5-4-9(15(32)30(10)16)27-11-6-12(26-7-25-11)28-13(8-2-3-8)17(19,20)21/h4-8,13H,2-3H2,1H3,(H,29,31)(H2,25,26,27,28).

What are the key properties of 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?

6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 462.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).