(1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

C24H21F3N4O3 — CID 122617883

About (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

(1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (PubChem CID 122617883) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

Molecular Properties

• Compound Name: (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
• PubChem CID: 122617883
• Molecular Formula: C24H21F3N4O3
• Molecular Weight: 470.45 g/mol
• Exact Mass: 470.16
• IUPAC Name: (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
• SMILES: CC(C)(O)c1ncc(-c2cc3c(cc2F)c(=O)n2n3[C@@H](c3ccccc3OC(F)F)CC2)cn1
• InChI: InChI=1S/C24H21F3N4O3/c1-24(2,33)22-28-11-13(12-29-22)15-10-19-16(9-17(15)25)21(32)30-8-7-18(31(19)30)14-5-3-4-6-20(14)34-23(26)27/h3-6,9-12,18,23,33H,7-8H2,1-2H3/t18-/m1/s1
• InChIKey: RCPQSZYWFHXAQV-GOSISDBHSA-N
• XLogP: 4.22
• TPSA: 82.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.45
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

The IUPAC name of (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (CID 122617883) is (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

What is the SMILES notation for (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

The canonical SMILES for (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is CC(C)(O)c1ncc(-c2cc3c(cc2F)c(=O)n2n3[C@@H](c3ccccc3OC(F)F)CC2)cn1.

What is the InChIKey of (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

The InChIKey is RCPQSZYWFHXAQV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-24(2,33)22-28-11-13(12-29-22)15-10-19-16(9-17(15)25)21(32)30-8-7-18(31(19)30)14-5-3-4-6-20(14)34-23(26)27/h3-6,9-12,18,23,33H,7-8H2,1-2H3/t18-/m1/s1.

What are the key properties of (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

(1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one has a molecular weight of 470.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[2-(difluoromethoxy)phenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is sourced from PubChem (CID 122617883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).