N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate

C78H79F2N21O15S — CID 159582579

About N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate

N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate (PubChem CID 159582579) has the molecular formula C78H79F2N21O15S and a molecular weight of 1618.69 g/mol. Its IUPAC name is N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate.

Molecular Properties

• Compound Name: N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate
• PubChem CID: 159582579
• Molecular Formula: C78H79F2N21O15S
• Molecular Weight: 1618.69 g/mol
• Exact Mass: 1617.58
• IUPAC Name: N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate
• SMILES: C[18F].Cc1ccc(S(=O)(=O)OCCOc2cccc(-c3nc4cc(NC(=O)c5c(C(=O)N6CCOCC6)cnn5C)ccn4n3)c2)cc1.Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2nc(-c3cccc(O)c3)nc2c1.Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2nc(-c3cccc(OCC[18F])c3)nc2c1
• InChI: InChI=1S/C31H31N7O7S.C24H24FN7O4.C22H21N7O4.CH3F/c1-21-6-8-25(9-7-21)46(41,42)45-17-16-44-24-5-3-4-22(18-24)29-34-27-19-23(10-11-38(27)35-29)33-30(39)28-26(20-32-36(28)2)31(40)37-12-14-43-15-13-37;1-30-21(19(15-26-30)24(34)31-8-11-35-12-9-31)23(33)27-17-5-7-32-20(14-17)28-22(29-32)16-3-2-4-18(13-16)36-10-6-25;1-27-19(17(13-23-27)22(32)28-7-9-33-10-8-28)21(31)24-15-5-6-29-18(12-15)25-20(26-29)14-3-2-4-16(30)11-14;1-2/h3-11,18-20H,12-17H2,1-2H3,(H,33,39);2-5,7,13-15H,6,8-12H2,1H3,(H,27,33);2-6,11-13,30H,7-10H2,1H3,(H,24,31);1H3/i;25-1;;2-1
• InChIKey: MJFAVHNZJXPJMB-OBSSYYLNSA-N
• XLogP: 7.30
• TPSA: 402.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1618.69
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate?

The IUPAC name of N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate (CID 159582579) is N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate.

What is the SMILES notation for N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate?

The canonical SMILES for N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate is C[18F].Cc1ccc(S(=O)(=O)OCCOc2cccc(-c3nc4cc(NC(=O)c5c(C(=O)N6CCOCC6)cnn5C)ccn4n3)c2)cc1.Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2nc(-c3cccc(O)c3)nc2c1.Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2nc(-c3cccc(OCC[18F])c3)nc2c1.

What is the InChIKey of N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate?

The InChIKey is MJFAVHNZJXPJMB-OBSSYYLNSA-N. The full InChI is InChI=1S/C31H31N7O7S.C24H24FN7O4.C22H21N7O4.CH3F/c1-21-6-8-25(9-7-21)46(41,42)45-17-16-44-24-5-3-4-22(18-24)29-34-27-19-23(10-11-38(27)35-29)33-30(39)28-26(20-32-36(28)2)31(40)37-12-14-43-15-13-37;1-30-21(19(15-26-30)24(34)31-8-11-35-12-9-31)23(33)27-17-5-7-32-20(14-17)28-22(29-32)16-3-2-4-18(13-16)36-10-6-25;1-27-19(17(13-23-27)22(32)28-7-9-33-10-8-28)21(31)24-15-5-6-29-18(12-15)25-20(26-29)14-3-2-4-16(30)11-14;1-2/h3-11,18-20H,12-17H2,1-2H3,(H,33,39);2-5,7,13-15H,6,8-12H2,1H3,(H,27,33);2-6,11-13,30H,7-10H2,1H3,(H,24,31);1H3/i;25-1;;2-1.

What are the key properties of N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate?

N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate has a molecular weight of 1618.69 g/mol, XLogP of 7.30, 21 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(2-(18F)fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;(18F)fluoromethane;N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;2-[3-[7-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate is sourced from PubChem (CID 159582579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).