2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one

C24H28FN5O4 — CID 10140027

About 2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one

2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one (PubChem CID 10140027) has the molecular formula C24H28FN5O4 and a molecular weight of 469.52 g/mol. Its IUPAC name is 2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one.

Molecular Properties

• Compound Name: 2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
• PubChem CID: 10140027
• Molecular Formula: C24H28FN5O4
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.21
• IUPAC Name: 2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
• SMILES: COC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CC2(C3)OCC(C)(C)O2)n1
• InChI: InChI=1S/C24H28FN5O4/c1-15(11-32-4)27-22-26-10-9-18(28-22)20-19(16-5-7-17(25)8-6-16)21(31)30-13-24(12-29(20)30)33-14-23(2,3)34-24/h5-10,15H,11-14H2,1-4H3,(H,26,27,28)/t15-,24?/m0/s1
• InChIKey: QNDYOYQDSJKUPI-FZADBTJQSA-N
• XLogP: 2.89
• TPSA: 92.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one (CID 10140027) is 2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[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-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one?

The canonical SMILES for 2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one is COC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CC2(C3)OCC(C)(C)O2)n1.

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

The InChIKey is QNDYOYQDSJKUPI-FZADBTJQSA-N. The full InChI is InChI=1S/C24H28FN5O4/c1-15(11-32-4)27-22-26-10-9-18(28-22)20-19(16-5-7-17(25)8-6-16)21(31)30-13-24(12-29(20)30)33-14-23(2,3)34-24/h5-10,15H,11-14H2,1-4H3,(H,26,27,28)/t15-,24?/m0/s1.

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

2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one has a molecular weight of 469.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one is sourced from PubChem (CID 10140027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).