2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid

C34H35F3N10O4 — CID 174218603

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid (PubChem CID 174218603) has the molecular formula C34H35F3N10O4 and a molecular weight of 704.71 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid
• PubChem CID: 174218603
• Molecular Formula: C34H35F3N10O4
• Molecular Weight: 704.71 g/mol
• Exact Mass: 704.28
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid
• SMILES: COc1ncnc(C2CC2)c1-c1ncc2nc(N3CCN(C)CC3)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)c2n1.O=CO
• InChI: InChI=1S/C33H33F3N10O2.CH2O2/c1-43-11-13-44(14-12-43)30-32(47)46(16-19-3-5-21(6-4-19)28-41-24(33(34,35)36)17-45(28)22-9-10-22)29-23(40-30)15-37-27(42-29)25-26(20-7-8-20)38-18-39-31(25)48-2;2-1-3/h3-6,15,17-18,20,22H,7-14,16H2,1-2H3;1H,(H,2,3)
• InChIKey: YYBYOJQTLNZYLU-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 157.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.71
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid (CID 174218603) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid is COc1ncnc(C2CC2)c1-c1ncc2nc(N3CCN(C)CC3)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)c2n1.O=CO.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid?

The InChIKey is YYBYOJQTLNZYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F3N10O2.CH2O2/c1-43-11-13-44(14-12-43)30-32(47)46(16-19-3-5-21(6-4-19)28-41-24(33(34,35)36)17-45(28)22-9-10-22)29-23(40-30)15-37-27(42-29)25-26(20-7-8-20)38-18-39-31(25)48-2;2-1-3/h3-6,15,17-18,20,22H,7-14,16H2,1-2H3;1H,(H,2,3).

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid has a molecular weight of 704.71 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pteridin-7-one;formic acid is sourced from PubChem (CID 174218603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).