2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one

C25H21F2N5O3 — CID 10140473

About 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one

2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one (PubChem CID 10140473) has the molecular formula C25H21F2N5O3 and a molecular weight of 477.47 g/mol. Its IUPAC name is 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one.

Molecular Properties

• Compound Name: 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
• PubChem CID: 10140473
• Molecular Formula: C25H21F2N5O3
• Molecular Weight: 477.47 g/mol
• Exact Mass: 477.16
• IUPAC Name: 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
• SMILES: O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NCc3cccc(F)c3)n2)n2n1CC1(C2)OCCO1
• InChI: InChI=1S/C25H21F2N5O3/c26-18-6-4-17(5-7-18)21-22(31-14-25(34-10-11-35-25)15-32(31)23(21)33)20-8-9-28-24(30-20)29-13-16-2-1-3-19(27)12-16/h1-9,12H,10-11,13-15H2,(H,28,29,30)
• InChIKey: PDHUDSOTILRLBO-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.47
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one?

The IUPAC name of 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one (CID 10140473) is 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one.

What is the SMILES notation for 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one?

The canonical SMILES for 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one is O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NCc3cccc(F)c3)n2)n2n1CC1(C2)OCCO1.

What is the InChIKey of 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one?

The InChIKey is PDHUDSOTILRLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O3/c26-18-6-4-17(5-7-18)21-22(31-14-25(34-10-11-35-25)15-32(31)23(21)33)20-8-9-28-24(30-20)29-13-16-2-1-3-19(27)12-16/h1-9,12H,10-11,13-15H2,(H,28,29,30).

What are the key properties of 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one?

2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one has a molecular weight of 477.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(4-fluorophenyl)-1'-[2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one is sourced from PubChem (CID 10140473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).