N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

C23H18ClF3N6O3 — CID 118599090

About N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 118599090) has the molecular formula C23H18ClF3N6O3 and a molecular weight of 518.88 g/mol. Its IUPAC name is N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
• PubChem CID: 118599090
• Molecular Formula: C23H18ClF3N6O3
• Molecular Weight: 518.88 g/mol
• Exact Mass: 518.11
• IUPAC Name: N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
• SMILES: CC1(c2cccc(C(F)(F)F)c2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
• InChI: InChI=1S/C23H18ClF3N6O3/c1-22(12-3-2-4-13(7-12)23(25,26)27)32-20(35)18-14(24)8-15(21(36)33(18)22)30-16-9-17(29-10-28-16)31-19(34)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,32,35)(H2,28,29,30,31,34)
• InChIKey: BPYYFLXJIDMFPO-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 118.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.88
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 118599090) is N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is CC1(c2cccc(C(F)(F)F)c2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.

What is the InChIKey of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?

The InChIKey is BPYYFLXJIDMFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N6O3/c1-22(12-3-2-4-13(7-12)23(25,26)27)32-20(35)18-14(24)8-15(21(36)33(18)22)30-16-9-17(29-10-28-16)31-19(34)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,32,35)(H2,28,29,30,31,34).

What are the key properties of N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?

N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 518.88 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118599090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).