6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane

C105H117F6N21O13 — CID 158480344

About 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane

6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane (PubChem CID 158480344) has the molecular formula C105H117F6N21O13 and a molecular weight of 1995.21 g/mol. Its IUPAC name is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane.

Molecular Properties

• Compound Name: 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane
• PubChem CID: 158480344
• Molecular Formula: C105H117F6N21O13
• Molecular Weight: 1995.21 g/mol
• Exact Mass: 1993.90
• IUPAC Name: 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane
• SMILES: C.CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)CCCCCCc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNC(=O)CCCCCCc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)cc(=O)c(OCc3ccccc3)c2C1=O.O=C(O)CCCCCCc1nc(-c2n[nH]c3ccc(F)cc23)ncc1F
• InChI: InChI=1S/C37H39F2N7O4.C30H33F2N7O4.C19H23N3O3.C18H18F2N4O2.CH4/c1-23(2)45-16-17-46-26(19-31(47)35(34(46)37(45)49)50-22-24-10-6-5-7-11-24)20-40-32(48)13-9-4-3-8-12-30-28(39)21-41-36(42-30)33-27-18-25(38)14-15-29(27)43-44-33;1-17(2)38-11-12-39-19(14-24(40)28(42)27(39)30(38)43)15-33-25(41)8-6-4-3-5-7-23-21(32)16-34-29(35-23)26-20-13-18(31)9-10-22(20)36-37-26;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;19-11-7-8-14-12(9-11)17(24-23-14)18-21-10-13(20)15(22-18)5-3-1-2-4-6-16(25)26;/h5-7,10-11,14-15,18-19,21,23H,3-4,8-9,12-13,16-17,20,22H2,1-2H3,(H,40,48)(H,43,44);9-10,13-14,16-17,42H,3-8,11-12,15H2,1-2H3,(H,33,41)(H,36,37);3-7,10,13H,8-9,11-12,20H2,1-2H3;7-10H,1-6H2,(H,23,24)(H,25,26);1H4
• InChIKey: HHLFTCLMEGENAJ-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 450.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1995.21
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane?

The IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane (CID 158480344) is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane.

What is the SMILES notation for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane?

The canonical SMILES for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane is C.CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)CCCCCCc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNC(=O)CCCCCCc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)cc(=O)c(OCc3ccccc3)c2C1=O.O=C(O)CCCCCCc1nc(-c2n[nH]c3ccc(F)cc23)ncc1F.

What is the InChIKey of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane?

The InChIKey is HHLFTCLMEGENAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39F2N7O4.C30H33F2N7O4.C19H23N3O3.C18H18F2N4O2.CH4/c1-23(2)45-16-17-46-26(19-31(47)35(34(46)37(45)49)50-22-24-10-6-5-7-11-24)20-40-32(48)13-9-4-3-8-12-30-28(39)21-41-36(42-30)33-27-18-25(38)14-15-29(27)43-44-33;1-17(2)38-11-12-39-19(14-24(40)28(42)27(39)30(38)43)15-33-25(41)8-6-4-3-5-7-23-21(32)16-34-29(35-23)26-20-13-18(31)9-10-22(20)36-37-26;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;19-11-7-8-14-12(9-11)17(24-23-14)18-21-10-13(20)15(22-18)5-3-1-2-4-6-16(25)26;/h5-7,10-11,14-15,18-19,21,23H,3-4,8-9,12-13,16-17,20,22H2,1-2H3,(H,40,48)(H,43,44);9-10,13-14,16-17,42H,3-8,11-12,15H2,1-2H3,(H,33,41)(H,36,37);3-7,10,13H,8-9,11-12,20H2,1-2H3;7-10H,1-6H2,(H,23,24)(H,25,26);1H4.

What are the key properties of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane?

6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane has a molecular weight of 1995.21 g/mol, XLogP of 15.81, 38 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid;7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]heptanamide;methane is sourced from PubChem (CID 158480344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).