1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one

C25H25F2N5O3 — CID 122620846

IUPAC1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
SMILESCC(c1ccccc1OC(F)F)n1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C
InChIInChI=1S/C25H25F2N5O3/c1-16(19-5-3-4-6-22(19)35-24(26)27)32-21-13-17(7-8-20(21)23(33)30(32)2)18-14-28-25(29-15-18)31-9-11-34-12-10-31/h3-8,13-16,24H,9-12H2,1-2H3
InChIKeyXKNZHVWRMSZKRI-UHFFFAOYSA-N
MW481.50 g/mol
LogP3.84
Rot. Bonds6

About 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one

1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one (PubChem CID 122620846) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one.

Molecular Properties

Compound Name1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
PubChem CID122620846
Molecular FormulaC25H25F2N5O3
Molecular Weight481.50 g/mol
Exact Mass481.19
IUPAC Name1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
SMILESCC(c1ccccc1OC(F)F)n1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C
InChIInChI=1S/C25H25F2N5O3/c1-16(19-5-3-4-6-22(19)35-24(26)27)32-21-13-17(7-8-20(21)23(33)30(32)2)18-14-28-25(29-15-18)31-9-11-34-12-10-31/h3-8,13-16,24H,9-12H2,1-2H3
InChIKeyXKNZHVWRMSZKRI-UHFFFAOYSA-N
XLogP3.84
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(difluoromethoxy)-3-[2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)-3-oxoindazol-1-yl]benzoate
CID 122634380
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(2-piperidin-1-ylpyrimidin-5-yl)indazol-3-one
CID 122629452
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(2-piperazin-1-ylpyrimidin-5-yl)indazol-3-one
CID 145171636
1-benzyl-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
CID 122620864
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-yl]indazol-3-one
CID 122621921
7-[5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 122620469
1-[[2-(1-fluoroethoxy)phenyl]methyl]-2-methyl-6-[2-[3-(oxetan-3-yl)azetidin-1-yl]pyrimidin-5-yl]indazol-3-one
CID 160704472
1-[[2-(difluoromethoxy)phenyl]methyl]-6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one
CID 122620386
8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
CID 122617233
(1R)-8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
CID 122617248
(1S,9bS)-1-[2-(1-fluoroethoxy)phenyl]-8-(2-morpholin-4-ylpyrimidin-5-yl)-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-5-one
CID 134212644
(1S,9bR)-1-[2-(difluoromethoxy)-5-phenylphenyl]-8-(2-morpholin-4-ylpyrimidin-5-yl)-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-5-one
CID 134214398

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
The IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one (CID 122620846) is 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one.
What is the SMILES notation for 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
The canonical SMILES for 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one is CC(c1ccccc1OC(F)F)n1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.
What is the InChIKey of 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
The InChIKey is XKNZHVWRMSZKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-16(19-5-3-4-6-22(19)35-24(26)27)32-21-13-17(7-8-20(21)23(33)30(32)2)18-14-28-25(29-15-18)31-9-11-34-12-10-31/h3-8,13-16,24H,9-12H2,1-2H3.
What are the key properties of 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one has a molecular weight of 481.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one is sourced from PubChem (CID 122620846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).