1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide

C25H19F3N8O2 — CID 165415461

About 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide

1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide (PubChem CID 165415461) has the molecular formula C25H19F3N8O2 and a molecular weight of 520.50 g/mol. Its IUPAC name is 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide.

Molecular Properties

• Compound Name: 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide
• PubChem CID: 165415461
• Molecular Formula: C25H19F3N8O2
• Molecular Weight: 520.50 g/mol
• Exact Mass: 520.16
• IUPAC Name: 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide
• SMILES: CN1C(=C(C=N1)C(=O)NCC2=NC=CC(=C2)C(F)(F)F)C(=O)NC3=NC4=NC(=CN4C=C3)C5=CC=CC=C5
• InChI: InChI=1S/C25H19F3N8O2/c1-35-21(18(13-31-35)22(37)30-12-17-11-16(7-9-29-17)25(26,27)28)23(38)33-20-8-10-36-14-19(32-24(36)34-20)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,30,37)(H,32,33,34,38)
• InChIKey: ZMHDVRBYWORBEQ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 119.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: 842

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.50
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide?

The IUPAC name of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide (CID 165415461) is 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide.

What is the SMILES notation for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide?

The canonical SMILES for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide is CN1C(=C(C=N1)C(=O)NCC2=NC=CC(=C2)C(F)(F)F)C(=O)NC3=NC4=NC(=CN4C=C3)C5=CC=CC=C5.

What is the InChIKey of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide?

The InChIKey is ZMHDVRBYWORBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N8O2/c1-35-21(18(13-31-35)22(37)30-12-17-11-16(7-9-29-17)25(26,27)28)23(38)33-20-8-10-36-14-19(32-24(36)34-20)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,30,37)(H,32,33,34,38).

What are the key properties of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide?

1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide has a molecular weight of 520.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165415461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).