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

C25H23F3N4O3 — CID 122617129

IUPAC(1R)-1-[2-(difluoromethoxy)-5-methylphenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
SMILESCc1ccc(OC(F)F)c([C@H]2CCn3c(=O)c4cc(F)c(-c5cnc(C(C)(C)O)nc5)cc4n32)c1
InChIInChI=1S/C25H23F3N4O3/c1-13-4-5-21(35-24(27)28)16(8-13)19-6-7-31-22(33)17-9-18(26)15(10-20(17)32(19)31)14-11-29-23(30-12-14)25(2,3)34/h4-5,8-12,19,24,34H,6-7H2,1-3H3/t19-/m1/s1
InChIKeyOEHKYJVIKNMEGG-LJQANCHMSA-N
MW484.48 g/mol
LogP4.53
Rot. Bonds5

About (1R)-1-[2-(difluoromethoxy)-5-methylphenyl]-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)-5-methylphenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (PubChem CID 122617129) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is (1R)-1-[2-(difluoromethoxy)-5-methylphenyl]-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)-5-methylphenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
PubChem CID122617129
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name(1R)-1-[2-(difluoromethoxy)-5-methylphenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
SMILESCc1ccc(OC(F)F)c([C@H]2CCn3c(=O)c4cc(F)c(-c5cnc(C(C)(C)O)nc5)cc4n32)c1
InChIInChI=1S/C25H23F3N4O3/c1-13-4-5-21(35-24(27)28)16(8-13)19-6-7-31-22(33)17-9-18(26)15(10-20(17)32(19)31)14-11-29-23(30-12-14)25(2,3)34/h4-5,8-12,19,24,34H,6-7H2,1-3H3/t19-/m1/s1
InChIKeyOEHKYJVIKNMEGG-LJQANCHMSA-N
XLogP4.53
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(difluoromethoxy)-5-methylphenyl]-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)-5-methylphenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (CID 122617129) is (1R)-1-[2-(difluoromethoxy)-5-methylphenyl]-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)-5-methylphenyl]-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)-5-methylphenyl]-7-fluoro-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is Cc1ccc(OC(F)F)c([C@H]2CCn3c(=O)c4cc(F)c(-c5cnc(C(C)(C)O)nc5)cc4n32)c1.
What is the InChIKey of (1R)-1-[2-(difluoromethoxy)-5-methylphenyl]-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 OEHKYJVIKNMEGG-LJQANCHMSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-13-4-5-21(35-24(27)28)16(8-13)19-6-7-31-22(33)17-9-18(26)15(10-20(17)32(19)31)14-11-29-23(30-12-14)25(2,3)34/h4-5,8-12,19,24,34H,6-7H2,1-3H3/t19-/m1/s1.
What are the key properties of (1R)-1-[2-(difluoromethoxy)-5-methylphenyl]-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)-5-methylphenyl]-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 484.48 g/mol, XLogP of 4.53, 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)-5-methylphenyl]-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 122617129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).