7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C29H26F3N7O2 — CID 170270053

About 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170270053) has the molecular formula C29H26F3N7O2 and a molecular weight of 561.57 g/mol. Its IUPAC name is 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 170270053
• Molecular Formula: C29H26F3N7O2
• Molecular Weight: 561.57 g/mol
• Exact Mass: 561.21
• IUPAC Name: 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: CC1CC(c2cccc(-c3cnc4c(C(F)(F)F)cc(-n5ncc6c5CCOC6)cn4c3=O)c2)(c2nncn2C)C1
• InChI: InChI=1S/C29H26F3N7O2/c1-17-10-28(11-17,27-36-34-16-37(27)2)20-5-3-4-18(8-20)22-13-33-25-23(29(30,31)32)9-21(14-38(25)26(22)40)39-24-6-7-41-15-19(24)12-35-39/h3-5,8-9,12-14,16-17H,6-7,10-11,15H2,1-2H3
• InChIKey: ZAOUYRXBOFYQIX-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.57
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 170270053) is 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is CC1CC(c2cccc(-c3cnc4c(C(F)(F)F)cc(-n5ncc6c5CCOC6)cn4c3=O)c2)(c2nncn2C)C1.

What is the InChIKey of 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is ZAOUYRXBOFYQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N7O2/c1-17-10-28(11-17,27-36-34-16-37(27)2)20-5-3-4-18(8-20)22-13-33-25-23(29(30,31)32)9-21(14-38(25)26(22)40)39-24-6-7-41-15-19(24)12-35-39/h3-5,8-9,12-14,16-17H,6-7,10-11,15H2,1-2H3.

What are the key properties of 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?

7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 561.57 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170270053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).