methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol

C82H111F3N24O11 — CID 157271571

IUPACmethane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
SMILESC.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)c4nnc(C(F)(F)F)o4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)c4nnc([C@@H]5CCCO5)o4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)c4nnc([C@H]5CCCO5)o4)c3)cc(C3CCC(O)CC3)n2n1
InChIInChI=1S/2C28H38N8O4.C25H31F3N8O3.CH4/c2*1-17(16-38-4)31-27-29-14-23-21(12-22(36(23)34-27)18-7-9-20(37)10-8-18)19-13-30-35(15-19)28(2,3)26-33-32-25(40-26)24-6-5-11-39-24;1-14(13-38-4)31-23-29-11-20-18(9-19(36(20)34-23)15-5-7-17(37)8-6-15)16-10-30-35(12-16)24(2,3)21-32-33-22(39-21)25(26,27)28;/h2*12-15,17-18,20,24,37H,5-11,16H2,1-4H3,(H,31,34);9-12,14-15,17,37H,5-8,13H2,1-4H3,(H,31,34);1H4/t17-,18?,20?,24+;17-,18?,20?,24-;14-,15?,17?;/m000./s1
InChIKeyAYPHSJWQMGFPGQ-BRGCPQHWSA-N
MW1665.94 g/mol
LogP13.03
Rot. Bonds26

About methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol

methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol (PubChem CID 157271571) has the molecular formula C82H111F3N24O11 and a molecular weight of 1665.94 g/mol. Its IUPAC name is methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namemethane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
PubChem CID157271571
Molecular FormulaC82H111F3N24O11
Molecular Weight1665.94 g/mol
Exact Mass1664.88
IUPAC Namemethane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
SMILESC.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)c4nnc(C(F)(F)F)o4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)c4nnc([C@@H]5CCCO5)o4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)c4nnc([C@H]5CCCO5)o4)c3)cc(C3CCC(O)CC3)n2n1
InChIInChI=1S/2C28H38N8O4.C25H31F3N8O3.CH4/c2*1-17(16-38-4)31-27-29-14-23-21(12-22(36(23)34-27)18-7-9-20(37)10-8-18)19-13-30-35(15-19)28(2,3)26-33-32-25(40-26)24-6-5-11-39-24;1-14(13-38-4)31-23-29-11-20-18(9-19(36(20)34-23)15-5-7-17(37)8-6-15)16-10-30-35(12-16)24(2,3)21-32-33-22(39-21)25(26,27)28;/h2*12-15,17-18,20,24,37H,5-11,16H2,1-4H3,(H,31,34);9-12,14-15,17,37H,5-8,13H2,1-4H3,(H,31,34);1H4/t17-,18?,20?,24+;17-,18?,20?,24-;14-,15?,17?;/m000./s1
InChIKeyAYPHSJWQMGFPGQ-BRGCPQHWSA-N
XLogP13.03
TPSA403.72 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001665.94
LogP ≤ 513.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-[4-[[3-[4-[7-[4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-(oxetan-2-yl)methoxy]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-4-yl]oxy]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]propanenitrile
CID 155178579
4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 155178649
4-[5-[1-[1-[4-[5-[1-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexyl]oxy-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 155178673
2-[4-[7-[4-[3-[4-[7-[4-[3-[4-[7-(4-hydroxy-4-methylcyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]oxetan-2-yl]oxy-4-methylcyclohexyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]oxetan-2-yl]oxycyclohexyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 155178676
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 155178680
4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-5-[1-[1-[[7-(4-hydroxycyclohexyl)-5-[2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[(2S)-1-methoxypropan-2-yl]amino]-2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 155178798
2-[4-[7-[4-[[5-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methoxy]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 155178814
4-[5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 155178890
4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-5-[1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 156384303
4-[5-[1-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 156384317
[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one;2-[4-[7-(4-hydroxy-4-methylcyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-(oxetan-3-yl)propan-1-one;methane
CID 157261826
CID 157350882
CID 157350882

Frequently Asked Questions

What is the IUPAC name of methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The IUPAC name of methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol (CID 157271571) is methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol.
What is the SMILES notation for methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The canonical SMILES for methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol is C.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)c4nnc(C(F)(F)F)o4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)c4nnc([C@@H]5CCCO5)o4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3cnn(C(C)(C)c4nnc([C@H]5CCCO5)o4)c3)cc(C3CCC(O)CC3)n2n1.
What is the InChIKey of methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The InChIKey is AYPHSJWQMGFPGQ-BRGCPQHWSA-N. The full InChI is InChI=1S/2C28H38N8O4.C25H31F3N8O3.CH4/c2*1-17(16-38-4)31-27-29-14-23-21(12-22(36(23)34-27)18-7-9-20(37)10-8-18)19-13-30-35(15-19)28(2,3)26-33-32-25(40-26)24-6-5-11-39-24;1-14(13-38-4)31-23-29-11-20-18(9-19(36(20)34-23)15-5-7-17(37)8-6-15)16-10-30-35(12-16)24(2,3)21-32-33-22(39-21)25(26,27)28;/h2*12-15,17-18,20,24,37H,5-11,16H2,1-4H3,(H,31,34);9-12,14-15,17,37H,5-8,13H2,1-4H3,(H,31,34);1H4/t17-,18?,20?,24+;17-,18?,20?,24-;14-,15?,17?;/m000./s1.
What are the key properties of methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol has a molecular weight of 1665.94 g/mol, XLogP of 13.03, 26 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol is sourced from PubChem (CID 157271571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).