6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one

C108H113F6N23O13 — CID 159667019

IUPAC6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5OC(F)F)c4c3)cn2)C[C@@H]1C.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5OC(F)F)c4c3)cn2)C[C@H]1C.Cc1ccc(CO)cc1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.[2H]C([2H])([2H])n1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)OC[C@H]5C4)nc3)cc2n1Cc1cc(C)ccc1OC(F)F
InChIInChI=1S/2C28H30F2N6O3.C27H26F2N6O4.C25H27N5O3/c2*1-17-5-8-25(39-27(29)30)21(11-17)16-36-24-12-20(6-7-23(24)26(38)33(36)4)22-13-31-28(32-14-22)34-9-10-35(19(3)37)18(2)15-34;1-16-3-6-23(39-25(28)29)18(9-16)13-35-22-10-17(4-5-21(22)24(36)32(35)2)19-11-30-26(31-12-19)33-7-8-34-20(14-33)15-38-27(34)37;1-17-3-4-18(16-31)11-20(17)15-30-23-12-19(5-6-22(23)24(32)28(30)2)21-13-26-25(27-14-21)29-7-9-33-10-8-29/h2*5-8,11-14,18,27H,9-10,15-16H2,1-4H3;3-6,9-12,20,25H,7-8,13-15H2,1-2H3;3-6,11-14,31H,7-10,15-16H2,1-2H3/t2*18-;20-;/m101./s1/i;;2D3;
InChIKeyMTNOHNSMKBUDCG-JGKTWPGGSA-N
MW2058.25 g/mol
LogP13.50
Rot. Bonds24

About 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one

6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one (PubChem CID 159667019) has the molecular formula C108H113F6N23O13 and a molecular weight of 2058.25 g/mol. Its IUPAC name is 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one.

Molecular Properties

Compound Name6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
PubChem CID159667019
Molecular FormulaC108H113F6N23O13
Molecular Weight2058.25 g/mol
Exact Mass2056.90
IUPAC Name6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one
SMILESCC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5OC(F)F)c4c3)cn2)C[C@@H]1C.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5OC(F)F)c4c3)cn2)C[C@H]1C.Cc1ccc(CO)cc1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.[2H]C([2H])([2H])n1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)OC[C@H]5C4)nc3)cc2n1Cc1cc(C)ccc1OC(F)F
InChIInChI=1S/2C28H30F2N6O3.C27H26F2N6O4.C25H27N5O3/c2*1-17-5-8-25(39-27(29)30)21(11-17)16-36-24-12-20(6-7-23(24)26(38)33(36)4)22-13-31-28(32-14-22)34-9-10-35(19(3)37)18(2)15-34;1-16-3-6-23(39-25(28)29)18(9-16)13-35-22-10-17(4-5-21(22)24(36)32(35)2)19-11-30-26(31-12-19)33-7-8-34-20(14-33)15-38-27(34)37;1-17-3-4-18(16-31)11-20(17)15-30-23-12-19(5-6-22(23)24(32)28(30)2)21-13-26-25(27-14-21)29-7-9-33-10-8-29/h2*5-8,11-14,18,27H,9-10,15-16H2,1-4H3;3-6,9-12,20,25H,7-8,13-15H2,1-2H3;3-6,11-14,31H,7-10,15-16H2,1-2H3/t2*18-;20-;/m101./s1/i;;2D3;
InChIKeyMTNOHNSMKBUDCG-JGKTWPGGSA-N
XLogP13.50
TPSA351.11 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002058.25
LogP ≤ 513.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate
CID 118021434
(8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122620572
7-[5-[1-[[2-(difluoromethoxy)-5-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122620574
(8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122620775
7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122620777
(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(trityloxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122620819
Tert-butyl 4-[5-[1-[[2-(difluoromethoxy)-5-(trityloxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 122620824
(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122620939
(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122620944
(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122621039
Tris[2-[4-[5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]-2-oxoethyl] phosphate
CID 122621106
tris[2-[(2R)-4-[5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]-2-oxoethyl] phosphate
CID 122621501

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
The IUPAC name of 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one (CID 159667019) is 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one.
What is the SMILES notation for 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
The canonical SMILES for 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one is CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5OC(F)F)c4c3)cn2)C[C@@H]1C.CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n(C)n(Cc5cc(C)ccc5OC(F)F)c4c3)cn2)C[C@H]1C.Cc1ccc(CO)cc1Cn1c2cc(-c3cnc(N4CCOCC4)nc3)ccc2c(=O)n1C.[2H]C([2H])([2H])n1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)OC[C@H]5C4)nc3)cc2n1Cc1cc(C)ccc1OC(F)F.
What is the InChIKey of 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
The InChIKey is MTNOHNSMKBUDCG-JGKTWPGGSA-N. The full InChI is InChI=1S/2C28H30F2N6O3.C27H26F2N6O4.C25H27N5O3/c2*1-17-5-8-25(39-27(29)30)21(11-17)16-36-24-12-20(6-7-23(24)26(38)33(36)4)22-13-31-28(32-14-22)34-9-10-35(19(3)37)18(2)15-34;1-16-3-6-23(39-25(28)29)18(9-16)13-35-22-10-17(4-5-21(22)24(36)32(35)2)19-11-30-26(31-12-19)33-7-8-34-20(14-33)15-38-27(34)37;1-17-3-4-18(16-31)11-20(17)15-30-23-12-19(5-6-22(23)24(32)28(30)2)21-13-26-25(27-14-21)29-7-9-33-10-8-29/h2*5-8,11-14,18,27H,9-10,15-16H2,1-4H3;3-6,9-12,20,25H,7-8,13-15H2,1-2H3;3-6,11-14,31H,7-10,15-16H2,1-2H3/t2*18-;20-;/m101./s1/i;;2D3;.
What are the key properties of 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one?
6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one has a molecular weight of 2058.25 g/mol, XLogP of 13.50, 24 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3S)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one;(8aR)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-oxo-2-(trideuteriomethyl)indazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-[[5-(hydroxymethyl)-2-methylphenyl]methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one is sourced from PubChem (CID 159667019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).