2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol

C145H147F2N35O7 — CID 163463295

IUPAC2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol
SMILESC=C(c1ncc(-c2ccc(-c3ccnc(CC)c3)cc2O)nn1)C1C[C@H]2CNC[C@H]2C1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)C1CC(N)C1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)C1CC2(CNC2)C1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)C1[C@H]2CNC[C@@H]12.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)[C@@H]1CCNCC1(F)F.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)[C@H]1CCCNCC1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)[C@H]1CCNC1
InChIInChI=1S/C25H27N5O.C21H21N5O.C21H23N5O.C20H19F2N5O.C20H19N5O.2C19H19N5O/c1-3-21-10-17(6-7-27-21)16-4-5-22(24(31)11-16)23-14-28-25(30-29-23)15(2)18-8-19-12-26-13-20(19)9-18;1-14(15-9-21(10-15)12-22-13-21)20-23-11-18(24-25-20)17-5-4-16(8-19(17)27)26-6-2-3-7-26;1-15(16-5-4-9-22-10-8-16)21-23-14-19(24-25-21)18-7-6-17(13-20(18)27)26-11-2-3-12-26;1-13(16-6-7-23-12-20(16,21)22)19-24-11-17(25-26-19)15-5-4-14(10-18(15)28)27-8-2-3-9-27;1-12(19-15-9-21-10-16(15)19)20-22-11-17(23-24-20)14-5-4-13(8-18(14)26)25-6-2-3-7-25;1-13(14-6-7-20-11-14)19-21-12-17(22-23-19)16-5-4-15(10-18(16)25)24-8-2-3-9-24;1-12(13-8-14(20)9-13)19-21-11-17(22-23-19)16-5-4-15(10-18(16)25)24-6-2-3-7-24/h4-7,10-11,14,18-20,26,31H,2-3,8-9,12-13H2,1H3;2-8,11,15,22,27H,1,9-10,12-13H2;2-3,6-7,11-14,16,22,27H,1,4-5,8-10H2;2-5,8-11,16,23,28H,1,6-7,12H2;2-8,11,15-16,19,21,26H,1,9-10H2;2-5,8-10,12,14,20,25H,1,6-7,11H2;2-7,10-11,13-14,25H,1,8-9,20H2/t18?,19-,20+;;2*16-;15-,16+,19?;14-;/m..00.0./s1
InChIKeyBQLQZVXQAZVABT-ORHHJNFOSA-N
MW2530.00 g/mol
LogP21.86
Rot. Bonds29

About 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol

2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol (PubChem CID 163463295) has the molecular formula C145H147F2N35O7 and a molecular weight of 2530.00 g/mol. Its IUPAC name is 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol.

Molecular Properties

Compound Name2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol
PubChem CID163463295
Molecular FormulaC145H147F2N35O7
Molecular Weight2530.00 g/mol
Exact Mass2528.22
IUPAC Name2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol
SMILESC=C(c1ncc(-c2ccc(-c3ccnc(CC)c3)cc2O)nn1)C1C[C@H]2CNC[C@H]2C1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)C1CC(N)C1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)C1CC2(CNC2)C1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)C1[C@H]2CNC[C@@H]12.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)[C@@H]1CCNCC1(F)F.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)[C@H]1CCCNCC1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)[C@H]1CCNC1
InChIInChI=1S/C25H27N5O.C21H21N5O.C21H23N5O.C20H19F2N5O.C20H19N5O.2C19H19N5O/c1-3-21-10-17(6-7-27-21)16-4-5-22(24(31)11-16)23-14-28-25(30-29-23)15(2)18-8-19-12-26-13-20(19)9-18;1-14(15-9-21(10-15)12-22-13-21)20-23-11-18(24-25-20)17-5-4-16(8-19(17)27)26-6-2-3-7-26;1-15(16-5-4-9-22-10-8-16)21-23-14-19(24-25-21)18-7-6-17(13-20(18)27)26-11-2-3-12-26;1-13(16-6-7-23-12-20(16,21)22)19-24-11-17(25-26-19)15-5-4-14(10-18(15)28)27-8-2-3-9-27;1-12(19-15-9-21-10-16(15)19)20-22-11-17(23-24-20)14-5-4-13(8-18(14)26)25-6-2-3-7-25;1-13(14-6-7-20-11-14)19-21-12-17(22-23-19)16-5-4-15(10-18(16)25)24-8-2-3-9-24;1-12(13-8-14(20)9-13)19-21-11-17(22-23-19)16-5-4-15(10-18(16)25)24-6-2-3-7-24/h4-7,10-11,14,18-20,26,31H,2-3,8-9,12-13H2,1H3;2-8,11,15,22,27H,1,9-10,12-13H2;2-3,6-7,11-14,16,22,27H,1,4-5,8-10H2;2-5,8-11,16,23,28H,1,6-7,12H2;2-8,11,15-16,19,21,26H,1,9-10H2;2-5,8-10,12,14,20,25H,1,6-7,11H2;2-7,10-11,13-14,25H,1,8-9,20H2/t18?,19-,20+;;2*16-;15-,16+,19?;14-;/m..00.0./s1
InChIKeyBQLQZVXQAZVABT-ORHHJNFOSA-N
XLogP21.86
TPSA552.97 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms189
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002530.00
LogP ≤ 521.86
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_G(4)', 'substructure': 'N/A'}

Analyze 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol?
The IUPAC name of 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol (CID 163463295) is 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol.
What is the SMILES notation for 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol?
The canonical SMILES for 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol is C=C(c1ncc(-c2ccc(-c3ccnc(CC)c3)cc2O)nn1)C1C[C@H]2CNC[C@H]2C1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)C1CC(N)C1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)C1CC2(CNC2)C1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)C1[C@H]2CNC[C@@H]12.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)[C@@H]1CCNCC1(F)F.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)[C@H]1CCCNCC1.C=C(c1ncc(-c2ccc(-n3cccc3)cc2O)nn1)[C@H]1CCNC1.
What is the InChIKey of 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol?
The InChIKey is BQLQZVXQAZVABT-ORHHJNFOSA-N. The full InChI is InChI=1S/C25H27N5O.C21H21N5O.C21H23N5O.C20H19F2N5O.C20H19N5O.2C19H19N5O/c1-3-21-10-17(6-7-27-21)16-4-5-22(24(31)11-16)23-14-28-25(30-29-23)15(2)18-8-19-12-26-13-20(19)9-18;1-14(15-9-21(10-15)12-22-13-21)20-23-11-18(24-25-20)17-5-4-16(8-19(17)27)26-6-2-3-7-26;1-15(16-5-4-9-22-10-8-16)21-23-14-19(24-25-21)18-7-6-17(13-20(18)27)26-11-2-3-12-26;1-13(16-6-7-23-12-20(16,21)22)19-24-11-17(25-26-19)15-5-4-14(10-18(15)28)27-8-2-3-9-27;1-12(19-15-9-21-10-16(15)19)20-22-11-17(23-24-20)14-5-4-13(8-18(14)26)25-6-2-3-7-25;1-13(14-6-7-20-11-14)19-21-12-17(22-23-19)16-5-4-15(10-18(16)25)24-8-2-3-9-24;1-12(13-8-14(20)9-13)19-21-11-17(22-23-19)16-5-4-15(10-18(16)25)24-6-2-3-7-24/h4-7,10-11,14,18-20,26,31H,2-3,8-9,12-13H2,1H3;2-8,11,15,22,27H,1,9-10,12-13H2;2-3,6-7,11-14,16,22,27H,1,4-5,8-10H2;2-5,8-11,16,23,28H,1,6-7,12H2;2-8,11,15-16,19,21,26H,1,9-10H2;2-5,8-10,12,14,20,25H,1,6-7,11H2;2-7,10-11,13-14,25H,1,8-9,20H2/t18?,19-,20+;;2*16-;15-,16+,19?;14-;/m..00.0./s1.
What are the key properties of 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol?
2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol has a molecular weight of 2530.00 g/mol, XLogP of 21.86, 29 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[1-(3-aminocyclobutyl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-(2-azaspiro[3.3]heptan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-azepan-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(4S)-3,3-difluoropiperidin-4-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[1-[(3R)-pyrrolidin-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol is sourced from PubChem (CID 163463295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).