2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol

C133H142F4N38O14 — CID 163968956

About 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol

2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol (PubChem CID 163968956) has the molecular formula C133H142F4N38O14 and a molecular weight of 2572.84 g/mol. Its IUPAC name is 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol.

Molecular Properties

• Compound Name: 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol
• PubChem CID: 163968956
• Molecular Formula: C133H142F4N38O14
• Molecular Weight: 2572.84 g/mol
• Exact Mass: 2571.15
• IUPAC Name: 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol
• SMILES: CC1(C)CC(Oc2ncc(-c3ccc(-n4cccc4)cc3O)nn2)CC(C)(C)N1.Cc1nnn(-c2ccc(-c3cnc(OC4(C)CCNCC4)nn3)c(O)c2)n1.Oc1cc(-n2cccc2)ccc1-c1cnc(OC2CCNC[C@@H]2F)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(O[C@@H]2CCNCC2(F)F)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(O[C@@H]2CCNCC23CC3)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(O[C@H]2CCNC3(CC3)C2)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(O[C@H]2CCNC[C@H]2F)nn1
• InChI: InChI=1S/C22H27N5O2.2C20H21N5O2.C18H17F2N5O2.2C18H18FN5O2.C17H20N8O2/c1-21(2)12-16(13-22(3,4)26-21)29-20-23-14-18(24-25-20)17-8-7-15(11-19(17)28)27-9-5-6-10-27;26-18-11-14(25-9-1-2-10-25)3-4-16(18)17-13-21-19(24-23-17)27-15-5-8-22-20(12-15)6-7-20;26-17-11-14(25-9-1-2-10-25)3-4-15(17)16-12-22-19(24-23-16)27-18-5-8-21-13-20(18)6-7-20;19-18(20)11-21-6-5-16(18)27-17-22-10-14(23-24-17)13-4-3-12(9-15(13)26)25-7-1-2-8-25;2*19-14-10-20-6-5-17(14)26-18-21-11-15(22-23-18)13-4-3-12(9-16(13)25)24-7-1-2-8-24;1-11-20-24-25(23-11)12-3-4-13(15(26)9-12)14-10-19-16(22-21-14)27-17(2)5-7-18-8-6-17/h5-11,14,16,26,28H,12-13H2,1-4H3;1-4,9-11,13,15,22,26H,5-8,12H2;1-4,9-12,18,21,26H,5-8,13H2;1-4,7-10,16,21,26H,5-6,11H2;2*1-4,7-9,11,14,17,20,25H,5-6,10H2;3-4,9-10,18,26H,5-8H2,1-2H3/t;15-;18-;16-;14-,17?;14-,17+;/m.01101./s1
• InChIKey: SOHQTNKCSFOSGT-HLIIZZRFSA-N
• XLogP: 16.66
• TPSA: 634.30 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 52
• Rotatable Bonds: 28
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2572.84
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol?

The IUPAC name of 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol (CID 163968956) is 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol.

What is the SMILES notation for 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol?

The canonical SMILES for 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol is CC1(C)CC(Oc2ncc(-c3ccc(-n4cccc4)cc3O)nn2)CC(C)(C)N1.Cc1nnn(-c2ccc(-c3cnc(OC4(C)CCNCC4)nn3)c(O)c2)n1.Oc1cc(-n2cccc2)ccc1-c1cnc(OC2CCNC[C@@H]2F)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(O[C@@H]2CCNCC2(F)F)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(O[C@@H]2CCNCC23CC3)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(O[C@H]2CCNC3(CC3)C2)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(O[C@H]2CCNC[C@H]2F)nn1.

What is the InChIKey of 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol?

The InChIKey is SOHQTNKCSFOSGT-HLIIZZRFSA-N. The full InChI is InChI=1S/C22H27N5O2.2C20H21N5O2.C18H17F2N5O2.2C18H18FN5O2.C17H20N8O2/c1-21(2)12-16(13-22(3,4)26-21)29-20-23-14-18(24-25-20)17-8-7-15(11-19(17)28)27-9-5-6-10-27;26-18-11-14(25-9-1-2-10-25)3-4-16(18)17-13-21-19(24-23-17)27-15-5-8-22-20(12-15)6-7-20;26-17-11-14(25-9-1-2-10-25)3-4-15(17)16-12-22-19(24-23-16)27-18-5-8-21-13-20(18)6-7-20;19-18(20)11-21-6-5-16(18)27-17-22-10-14(23-24-17)13-4-3-12(9-15(13)26)25-7-1-2-8-25;2*19-14-10-20-6-5-17(14)26-18-21-11-15(22-23-18)13-4-3-12(9-16(13)25)24-7-1-2-8-24;1-11-20-24-25(23-11)12-3-4-13(15(26)9-12)14-10-19-16(22-21-14)27-17(2)5-7-18-8-6-17/h5-11,14,16,26,28H,12-13H2,1-4H3;1-4,9-11,13,15,22,26H,5-8,12H2;1-4,9-12,18,21,26H,5-8,13H2;1-4,7-10,16,21,26H,5-6,11H2;2*1-4,7-9,11,14,17,20,25H,5-6,10H2;3-4,9-10,18,26H,5-8H2,1-2H3/t;15-;18-;16-;14-,17?;14-,17+;/m.01101./s1.

What are the key properties of 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol?

2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol has a molecular weight of 2572.84 g/mol, XLogP of 16.66, 28 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[(7S)-4-azaspiro[2.5]octan-7-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(4R)-3,3-difluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-(4-methylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;5-pyrrol-1-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 163968956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).